data_[Pd1Pt2Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2683]
_cell_length_b [20.2185]
_cell_length_c [4.3489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [PdPt2Se3]
_chemical_formula_sum '[Pd1 Pt2 Se3]'
_cell_volume [375.3044]
_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  0.0000  0.5000  0.3850  1
  Pt  Pt1  2  0.5000  0.4238  0.1800  1
  Se  Se2  2  0.0000  0.3709  0.2428  1
  Se  Se3  1  0.5000  0.5000  0.7195  1
]