data_MoPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.31
_cell_angle_alpha   99.85
_cell_angle_beta   99.85
_cell_angle_gamma   34.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPt2Se
_chemical_formula_sum   'Mo1 Pt2 Se1'
_cell_volume   78.52
_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  0.74  0.0  0.08  1.0
  Pt  Pt1  1  0.26  0.0  0.15  1.0
  Pt  Pt2  1  0.61  0.0  0.03  1.0
  Se  Se3  1  0.15  0.0  0.04  1.0

data_MoPt2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.7
_cell_length_c   6.31
_cell_angle_alpha   99.85
_cell_angle_beta   90.0
_cell_angle_gamma   107.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPt2Se
_chemical_formula_sum   'Mo1 Pt2 Se1'
_cell_volume   78.52
_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  0.26  0.92  1.0
  Pt  Pt1  1  0.0  0.39  0.97  1.0
  Pt  Pt2  1  0.0  0.74  0.85  1.0
  Se  Se3  1  0.0  0.85  0.96  1.0

Mo Pt Pt Se