data_Pd2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   19.69
_cell_angle_beta   19.69
_cell_angle_gamma   19.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2PtSe
_chemical_formula_sum   'Pd2 Pt1 Se1'
_cell_volume   64.88
_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  0.0  0.02  1.0
  Pd  Pd1  1  0.0  0.0  0.5  1.0
  Pt  Pt2  1  0.0  0.0  0.76  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Pd2PtSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.97
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pd2PtSe
_chemical_formula_sum   'Pd4 Pt2 Se2'
_cell_volume   129.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.5  1.0
  Pd  Pd1  2  -0.0  0.0  0.98  1.0
  Pt  Pt2  2  -0.0  0.0  0.24  1.0
  Se  Se3  2  -0.0  0.0  0.0  1.0

Pd Pd Pt Se