data_PtAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.8
_cell_angle_alpha   101.34
_cell_angle_beta   101.34
_cell_angle_gamma   32.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtAu2Se
_chemical_formula_sum   'Pt1 Au2 Se1'
_cell_volume   71.56
_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
  Pt  Pt2  1  0.61  0.0  0.35  1.0
  Au  Au0  1  0.47  0.0  0.2  1.0
  Au  Au1  1  0.74  0.0  0.5  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_PtAu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.8
_cell_length_c   5.31
_cell_angle_alpha   101.34
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtAu2Se
_chemical_formula_sum   'Pt1 Au2 Se1'
_cell_volume   71.56
_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
  Pt  Pt0  1  0.0  0.35  0.61  1.0
  Au  Au1  1  0.0  0.2  0.47  1.0
  Au  Au2  1  0.0  0.5  0.74  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Pt Au Au Se