data_CuSb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   3.92
_cell_angle_alpha   102.27
_cell_angle_beta   102.27
_cell_angle_gamma   28.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb2Br
_chemical_formula_sum   'Cu1 Sb2 Br1'
_cell_volume   106.54
_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  Cu1  1  0.46  0.0  0.76  1.0
  Sb  Sb2  1  0.13  0.0  0.47  1.0
  Sb  Sb3  1  0.03  0.0  0.79  1.0
  Br  Br0  1  0.36  0.0  0.71  1.0

data_CuSb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.92
_cell_length_c   7.66
_cell_angle_alpha   102.27
_cell_angle_beta   104.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb2Br
_chemical_formula_sum   'Cu1 Sb2 Br1'
_cell_volume   106.54
_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  0.76  0.46  1.0
  Sb  Sb1  1  0.0  0.47  0.13  1.0
  Sb  Sb2  1  0.0  0.79  0.03  1.0
  Br  Br3  1  0.0  0.71  0.36  1.0

Cu Sb Sb Br