data_[Pd8Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [16.2971]
_cell_length_b [11.1715]
_cell_length_c [9.3360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Pd4Se5]
_chemical_formula_sum '[Pd8 Se10]'
_cell_volume [1699.7353]
_cell_formula_units_Z [2]
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  2  0.5198  0.3048  0.0088  1
  Pd  Pd1  2  0.5251  0.4642  0.7724  1
  Pd  Pd2  2  0.5312  0.2748  0.5086  1
  Pd  Pd3  2  0.5351  0.0450  0.6842  1
  Se  Se4  2  0.4555  0.1154  0.0712  1
  Se  Se5  2  0.4734  0.3228  0.2649  1
  Se  Se6  2  0.4745  0.4831  0.5189  1
  Se  Se7  2  0.4908  0.2454  0.7591  1
  Se  Se8  2  0.4946  0.0565  0.4118  1
]