data_Mo2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   30.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsPt
_chemical_formula_sum   'Mo2 As1 Pt1'
_cell_volume   62.63
_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  0.08  0.0  0.8  1.0
  Mo  Mo2  1  0.0  0.0  0.93  1.0
  As  As0  1  0.0  0.0  0.42  1.0
  Pt  Pt3  1  0.08  0.0  0.01  1.0

data_Mo2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.17
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsPt
_chemical_formula_sum   'Mo2 As1 Pt1'
_cell_volume   62.63
_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  0.07  0.0  0.07  1.0
  Mo  Mo1  1  0.2  0.08  0.2  1.0
  As  As2  1  0.58  0.0  0.58  1.0
  Pt  Pt3  1  0.99  0.08  0.99  1.0

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