data_CuAg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Br
_chemical_formula_sum   'Cu1 Ag2 Br1'
_cell_volume   75.63
_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
  Cu  Cu3  1  0.0  0.0  0.57  1.0
  Ag  Ag0  1  0.2  0.0  0.16  1.0
  Ag  Ag1  1  0.0  0.0  0.35  1.0
  Br  Br2  1  0.2  0.0  0.15  1.0

data_CuAg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Br
_chemical_formula_sum   'Cu1 Ag2 Br1'
_cell_volume   75.63
_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
  Cu  Cu0  1  0.0  0.0  0.57  1.0
  Ag  Ag1  1  0.0  0.0  0.35  1.0
  Ag  Ag2  1  0.2  0.0  0.16  1.0
  Br  Br3  1  0.2  0.0  0.15  1.0

Cu Ag Ag Br
Cu Ag Ag Br 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 