data_CuSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb2Mo
_chemical_formula_sum   'Cu1 Sb2 Mo1'
_cell_volume   85.44
_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  0.59  1.0
  Sb  Sb2  1  0.0  0.0  0.7  1.0
  Sb  Sb3  1  0.32  0.0  0.97  1.0
  Mo  Mo1  1  0.32  0.0  0.17  1.0

data_CuSb2Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CuSb2Mo
_chemical_formula_sum   'Cu1 Sb2 Mo1'
_cell_volume   85.51
_cell_formula_units_Z   1
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  1  0.0  0.0  0.59  1.0
  Sb  Sb1  1  0.0  0.0  0.7  1.0
  Sb  Sb2  1  0.32  0.0  0.97  1.0
  Mo  Mo3  1  0.32  0.0  0.17  1.0

Cu Sb Sb Mo
Cu Sb Sb Mo 0 1 o o o 2 3 o o + 