data_CuSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   135.64
_cell_angle_beta   135.64
_cell_angle_gamma   64.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb3
_chemical_formula_sum   'Cu1 Sb3'
_cell_volume   95.66
_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  0.2  0.47  1.0
  Sb  Sb2  1  0.2  0.0  0.47  1.0
  Sb  Sb3  1  0.0  0.0  0.93  1.0

data_CuSb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   122.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSb3
_chemical_formula_sum   'Cu2 Sb6'
_cell_volume   191.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.14  0.4  0.74  1.0
  Sb  Sb2  2  0.07  0.0  0.07  1.0

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