data_MoP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.03
_cell_angle_alpha   101.78
_cell_angle_beta   101.78
_cell_angle_gamma   37.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2Pt
_chemical_formula_sum   'Mo1 P2 Pt1'
_cell_volume   57.96
_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
  Mo  Mo0  1  0.82  0.0  0.28  1.0
  P  P1  1  0.38  0.0  0.63  1.0
  P  P2  1  0.57  0.0  0.22  1.0
  Pt  Pt3  1  0.3  0.0  0.72  1.0

data_MoP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.03
_cell_length_c   4.91
_cell_angle_alpha   101.78
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2Pt
_chemical_formula_sum   'Mo1 P2 Pt1'
_cell_volume   57.96
_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
  Mo  Mo0  1  0.0  0.28  0.82  1.0
  P  P1  1  0.0  0.22  0.57  1.0
  P  P2  1  0.0  0.63  0.38  1.0
  Pt  Pt3  1  0.0  0.72  0.3  1.0

Mo P P Pt