data_GaAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   4.89
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Bi
_chemical_formula_sum   'Ga1 Ag2 Bi1'
_cell_volume   88.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.44  0.54  1.0
  Ag  Ag1  1  0.79  0.44  0.0  1.0
  Bi  Bi2  1  0.79  0.0  0.54  1.0

data_GaAg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.89
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Bi
_chemical_formula_sum   'Ga1 Ag2 Bi1'
_cell_volume   88.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.44  0.54  1.0
  Ag  Ag2  1  0.79  0.44  -0.0  1.0
  Bi  Bi3  1  0.79  0.0  0.54  1.0

Ga Ag Ag Bi
Ga Ag Ag Bi 0 2 - - o 0 2 - o o 0 3 - o - 0 3 - o o 1 3 - o o 1 3 - + o 1 2 - o o 1 2 - o + 