Bilbao Crystallographic Server Plain text output Wyckoff positions

Wyckoff positions

To obtain the information about the Wyckoff positions of a group in text form you have to give the command
GET /cgi-bin/cryst/text/nph-list_wpos?g=[gn]&ua=[ua]&or=[or]&rh=[rha]
where

• [gn] is the group number in ITA,
• ua, or, rh are used to specify the unique axis ([ua]), the origin choice ([oc]) or the hexagonal or rhombohedral axes ([rha]) for the groups for which there is more than one possibility. The possible values are: [ua] = b|c, [oc]= o|t where o corresponds to origin choice one and t -- to origin choice two, [rh]=h|r. If no value is specified the default choice will be used.

For example if you want to obtain the Wyckoff positions of the group 012( C 2/m) [unique axis b] you have to do the following:

telnet www.cryst.ehu.es 80
GET /cgi-bin/cryst/text/nph-list_wpos?g=12&ua=b 

The output you will obtain has the following form:

headers ..

# Bilbao Crystallographic Server (www.cryst.ehu.es)
# Wyckoff positions of the group 12( C 2/m) [unique axis b]

Set: 0.000,0.000,0.000: 0.500,0.500,0.000

List of Wyckoff positions:
Orbit No:0
Multiplicity:8
Letter:j
(x, y, z)
( - x, y,  - z)
( - x,  - y,  - z)
(x,  - y, z)
Orbit No:1
Multiplicity:4
Letter:i
(x, 0.000000, z)
( - x, 0.000000,  - z)

... more ...

Orbit No:7
Multiplicity:2
Letter:c
(0.000000, 0.000000, 0.500000)
Orbit No:8
Multiplicity:2
Letter:b
(0.000000, 0.500000, 0.000000)
Orbit No:9
Multiplicity:2
Letter:a
(0.000000, 0.000000, 0.000000)
# end of the list