data_CrMo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2Pt
_chemical_formula_sum   'Cr1 Mo2 Pt1'
_cell_volume   60.31
_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
  Cr  Cr0  1  0.0  0.0  0.48  1.0
  Mo  Mo1  1  0.61  0.61  0.75  1.0
  Mo  Mo2  1  0.0  0.0  0.41  1.0
  Pt  Pt3  1  0.61  0.61  0.96  1.0

data_CrMo2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrMo2Pt
_chemical_formula_sum   'Cr2 Mo4 Pt2'
_cell_volume   120.61
_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
  Cr  Cr0  2  0.0  0.0  0.48  1.0
  Mo  Mo1  2  0.0  0.0  0.41  1.0
  Mo  Mo2  2  0.11  0.5  0.75  1.0
  Pt  Pt3  2  0.11  0.5  0.96  1.0

Cr Mo Mo Pt
Cr Mo Mo Pt 0 2 o o o 1 3 o o o 