data_[As4Pd8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0941]
_cell_length_b [6.3353]
_cell_length_c [5.8593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AsPd2Se]
_chemical_formula_sum '[As4 Pd8 Se4]'
_cell_volume [298.0777]
_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
[
  As  As0  4  0.3912  0.0828  0.6745  1.0
  Pd  Pd1  4  0.1662  0.2156  0.9290  1.0
  Pd  Pd2  4  0.3819  0.6991  0.4930  1.0
  Se  Se3  4  0.1348  0.5726  0.7244  1.0
]