data_[Os1Pd1Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0314]
_cell_length_b [6.1111]
_cell_length_c [6.2215]
_cell_angle_alpha [61.1921]
_cell_angle_beta [61.6511]
_cell_angle_gamma [86.2652]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [OsPdSe6]
_chemical_formula_sum '[Os1 Pd1 Se6]'
_cell_volume [172.8094]
_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  0.0000  0.0000  1.0
  Os  Os1  1  0.5000  0.5000  0.0000  1.0
  Se  Se2  2  0.1936  0.6825  0.8418  1.0
  Se  Se3  2  0.2047  0.4286  0.4857  1.0
  Se  Se4  2  0.3201  0.0667  0.1391  1.0
]