data_[Co2Pd4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  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 [5.3658]
_cell_length_b [13.1677]
_cell_length_c [4.5505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoPd2Se5]
_chemical_formula_sum '[Co2 Pd4 Se10]'
_cell_volume [296.3624]
_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
[
  Co  Co0  2  0.0000  0.0000  0.5000  1
  Pd  Pd1  4  0.0000  0.2858  0.5000  1
  Se  Se2  8  0.1678  0.1338  0.8620  1
  Se  Se3  2  0.0000  0.5000  0.5000  1
]