data_Mo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Pt
_chemical_formula_sum   'Mo4 Pt2'
_cell_volume   94.89
_cell_formula_units_Z   2
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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.76  1.0
  Mo  Mo2  1  0.0  0.57  0.38  1.0
  Mo  Mo3  1  0.23  0.29  0.13  1.0
  Pt  Pt4  1  0.0  0.57  0.13  1.0
  Pt  Pt5  1  0.23  0.29  0.38  1.0

data_Mo2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Pt
_chemical_formula_sum   'Mo4 Pt2'
_cell_volume   94.89
_cell_formula_units_Z   2
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
  Mo  Mo0  1  -0.0  0.57  0.38  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.76  1.0
  Mo  Mo3  1  0.23  0.29  0.13  1.0
  Pt  Pt4  1  -0.0  0.57  0.13  1.0
  Pt  Pt5  1  0.23  0.29  0.38  1.0

Mo Mo Mo Mo Pt Pt
Mo Mo Mo Mo Pt Pt 0 1 o o - 0 3 o o o 2 4 o o o 3 5 o o o 