SPGR

Description

Defines a crystallographic space group from its number, its standard symbol or its Hall symbol.

Syntax

SPGR symbol

Equivalent keywords are SPACEG and HALL.

Arguments

symbol

Type: string | integer

Number of symbol of the space group. The symbol can be a standard symbol or a Hall symbol.

Examples

• Crystallographic group from its IT number.

  SPGR 17
  

• Space group from its standard symbol.

  SPGR P 2 2 21
  

• Space group from its Hall symbol

  SPGR P 2a 2a