data_Ag2BiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   136.6
_cell_angle_beta   136.6
_cell_angle_gamma   63.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BiBr
_chemical_formula_sum   'Ag2 Bi1 Br1'
_cell_volume   96.66
_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
  Ag  Ag0  1  0.19  0.0  0.52  1.0
  Ag  Ag1  1  0.0  0.0  0.05  1.0
  Bi  Bi2  1  0.0  0.19  0.52  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

data_Ag2BiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.92
_cell_angle_alpha   111.7
_cell_angle_beta   111.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BiBr
_chemical_formula_sum   'Ag2 Bi1 Br1'
_cell_volume   96.66
_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
  Ag  Ag0  1  0.05  0.05  0.05  1.0
  Ag  Ag1  1  0.52  0.33  0.33  1.0
  Bi  Bi2  1  0.33  0.52  0.33  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ag Ag Bi Br
Ag Ag Bi Br 0 2 o o o 1 3 o o o 