data_CuSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   150.21
_cell_angle_beta   134.35
_cell_angle_gamma   55.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbBr2
_chemical_formula_sum   'Cu1 Sb1 Br2'
_cell_volume   122.99
_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  Cu2  1  0.0  0.0  0.88  1.0
  Sb  Sb3  1  0.0  0.73  0.54  1.0
  Br  Br0  1  0.0  0.0  0.76  1.0
  Br  Br1  1  0.81  0.0  0.28  1.0

data_CuSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.46
_cell_length_c   7.04
_cell_angle_alpha   112.83
_cell_angle_beta   104.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbBr2
_chemical_formula_sum   'Cu1 Sb1 Br2'
_cell_volume   122.99
_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  0.12  0.12  0.12  1.0
  Sb  Sb1  1  0.46  0.19  0.19  1.0
  Br  Br2  1  0.24  0.24  0.24  1.0
  Br  Br3  1  0.53  0.72  0.53  1.0

Cu Sb Br Br