data_CuSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   9.13
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb3
_chemical_formula_sum   'Cu4 Sb12'
_cell_volume   382.08
_cell_formula_units_Z   4
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  0.78  0.84  0.08  1.0
  Cu  Cu1  1  0.43  0.28  0.33  1.0
  Cu  Cu2  1  0.99  0.84  0.18  1.0
  Cu  Cu3  1  0.65  0.28  0.44  1.0
  Sb  Sb4  1  0.02  0.84  0.64  1.0
  Sb  Sb5  1  0.19  0.28  0.38  1.0
  Sb  Sb6  1  0.23  0.84  0.13  1.0
  Sb  Sb7  1  0.41  0.28  0.88  1.0
  Sb  Sb8  1  0.05  0.42  0.24  1.0
  Sb  Sb9  1  0.59  0.71  0.5  1.0
  Sb  Sb10  1  0.83  0.27  0.01  1.0
  Sb  Sb11  1  0.38  0.86  0.27  1.0
  Sb  Sb12  1  0.38  0.71  0.27  1.0
  Sb  Sb13  1  0.83  0.42  0.01  1.0
  Sb  Sb14  1  0.59  0.86  0.5  1.0
  Sb  Sb15  1  0.05  0.27  0.24  1.0

data_CuSb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.43
_cell_length_b   6.51
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuSb3
_chemical_formula_sum   'Cu4 Sb12'
_cell_volume   382.08
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.07  0.32  0.28  1.0
  Cu  Cu1  2  0.28  0.42  0.28  1.0
  Sb  Sb2  2  0.12  0.26  0.71  1.0
  Sb  Sb3  2  0.12  0.26  0.86  1.0
  Sb  Sb4  2  0.31  0.88  0.28  1.0
  Sb  Sb5  2  0.33  0.49  0.71  1.0
  Sb  Sb6  2  0.33  0.49  0.86  1.0
  Sb  Sb7  2  0.48  0.62  0.72  1.0

Cu Cu Cu Cu Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb