data_Mo2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   143.9
_cell_angle_beta   128.55
_cell_angle_gamma   64.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsPt
_chemical_formula_sum   'Mo2 As1 Pt1'
_cell_volume   62.74
_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  Mo1  1  0.0  0.24  0.39  1.0
  Mo  Mo2  1  0.6  0.0  0.98  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.37  1.0

data_Mo2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.48
_cell_length_c   5.17
_cell_angle_alpha   115.72
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsPt
_chemical_formula_sum   'Mo2 As1 Pt1'
_cell_volume   62.74
_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  0.61  0.85  0.85  1.0
  Mo  Mo1  1  0.62  0.02  0.62  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.63  0.63  0.63  1.0

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