data_Os2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.01
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   36.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2PtSe
_chemical_formula_sum   'Os2 Pt1 Se1'
_cell_volume   61.66
_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
  Os  Os0  1  0.46  0.0  0.65  1.0
  Os  Os1  1  0.28  0.0  0.25  1.0
  Pt  Pt2  1  0.87  0.0  0.45  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Os2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.62
_cell_length_c   5.01
_cell_angle_alpha   101.42
_cell_angle_beta   90.0
_cell_angle_gamma   108.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2PtSe
_chemical_formula_sum   'Os2 Pt1 Se1'
_cell_volume   61.66
_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
  Os  Os0  1  0.0  0.54  0.35  1.0
  Os  Os1  1  0.0  0.72  0.75  1.0
  Pt  Pt2  1  0.0  0.13  0.55  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Os Os Pt Se