data_Pd2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.55
_cell_angle_alpha   113.21
_cell_angle_beta   113.21
_cell_angle_gamma   34.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2PtSe
_chemical_formula_sum   'Pd2 Pt1 Se1'
_cell_volume   65.22
_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
  Pd  Pd0  1  0.17  0.0  0.14  1.0
  Pd  Pd1  1  0.04  0.0  0.06  1.0
  Pt  Pt2  1  0.88  0.0  0.04  1.0
  Se  Se3  1  0.22  0.0  0.98  1.0

data_Pd2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.55
_cell_length_c   5.28
_cell_angle_alpha   113.21
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2PtSe
_chemical_formula_sum   'Pd2 Pt1 Se1'
_cell_volume   65.22
_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
  Pd  Pd0  1  0.0  0.06  0.04  1.0
  Pd  Pd1  1  0.0  0.14  0.17  1.0
  Pt  Pt2  1  0.0  0.04  0.88  1.0
  Se  Se3  1  0.0  0.98  0.22  1.0

Pd Pd Pt Se
Pd Pd Pt Se 0 1 o o o 0 3 o o - 1 2 - o o 