data_CuAsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.53
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   99.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsBr2
_chemical_formula_sum   'Cu1 As1 Br2'
_cell_volume   95.82
_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  0.0  1.0
  As  As0  1  0.34  0.0  0.96  1.0
  Br  Br1  1  0.13  0.77  0.24  1.0
  Br  Br2  1  0.97  0.77  0.68  1.0

data_CuAsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.53
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   99.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsBr2
_chemical_formula_sum   'Cu1 As1 Br2'
_cell_volume   95.82
_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  0.0  1.0
  As  As1  1  0.34  0.0  0.96  1.0
  Br  Br2  1  0.13  0.77  0.24  1.0
  Br  Br3  1  0.97  0.77  0.68  1.0

Cu As Br Br