data_CuSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.92
_cell_angle_alpha   106.02
_cell_angle_beta   106.02
_cell_angle_gamma   57.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb3
_chemical_formula_sum   'Cu1 Sb3'
_cell_volume   97.12
_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
  Sb  Sb1  1  0.6  0.0  0.29  1.0
  Sb  Sb2  1  0.21  0.0  0.24  1.0
  Sb  Sb3  1  0.99  0.0  0.33  1.0

data_CuSb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.2
_cell_length_c   6.92
_cell_angle_alpha   106.02
_cell_angle_beta   90.0
_cell_angle_gamma   118.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb3
_chemical_formula_sum   'Cu1 Sb3'
_cell_volume   97.12
_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
  Sb  Sb1  1  0.0  0.01  0.67  1.0
  Sb  Sb2  1  0.0  0.4  0.71  1.0
  Sb  Sb3  1  0.0  0.79  0.76  1.0

Cu Sb Sb Sb
Cu Sb Sb Sb 0 2 o o o 1 2 o o o 1 3 o o o 2 3 - o o 