data_[Y20Co8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.9278]
_cell_length_b [7.5175]
_cell_length_c [7.4275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y5(CoSe)2]
_chemical_formula_sum '[Y20 Co8 Se8]'
_cell_volume [833.5191]
_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
[
  Y  Y0  16  0.1264  0.1692  0.3357  1
  Y  Y1  4  0.0000  0.0000  0.0000  1
  Co  Co2  8  0.0000  0.1161  0.6095  1
  Se  Se3  8  0.2066  0.0000  0.0000  1
]