data_[Os4Pd4Se16]
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 [C2/c]
_cell_length_a [8.2422]
_cell_length_b [14.5160]
_cell_length_c [5.4623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [OsPdSe4]
_chemical_formula_sum '[Os4 Pd4 Se16]'
_cell_volume [493.7779]
_cell_formula_units_Z [4]
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
[
  Os  Os0  4  0.0000  0.1798  0.2500  1
  Pd  Pd1  4  0.0000  0.4283  0.7500  1
  Se  Se2  8  0.1891  0.2954  0.1697  1
  Se  Se3  8  0.1972  0.0515  0.2512  1
]