data_CuMo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   135.72
_cell_angle_beta   135.72
_cell_angle_gamma   64.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuMo2Pt
_chemical_formula_sum   'Cu1 Mo2 Pt1'
_cell_volume   58.73
_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
  Mo  Mo1  1  0.87  0.0  0.1  1.0
  Mo  Mo2  1  0.0  0.87  0.1  1.0
  Pt  Pt3  1  0.0  0.0  0.2  1.0

data_CuMo2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   122.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuMo2Pt
_chemical_formula_sum   'Cu2 Mo4 Pt2'
_cell_volume   117.46
_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
  Mo  Mo1  4  0.07  0.07  0.23  1.0
  Pt  Pt2  2  0.0  0.0  0.2  1.0

Cu Mo Mo Pt
Cu Mo Mo Pt 0 1 - o o 0 2 o - o 0 3 o o o 1 3 + o o 2 3 o + o 