data_[Y10Pd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7946]
_cell_length_b [4.0309]
_cell_length_c [10.1506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5PdSe4]
_chemical_formula_sum '[Y10 Pd2 Se8]'
_cell_volume [488.5260]
_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
[
  Y  Y0  4  0.0943  0.5000  0.9030  1
  Y  Y1  4  0.1973  0.0000  0.2953  1
  Y  Y2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.1033  0.5000  0.4068  1
  Se  Se5  4  0.1974  0.0000  0.8000  1
]