data_[Ce8Ho4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0405]
_cell_length_b [17.2576]
_cell_length_c [12.3937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HoCuSe5]
_chemical_formula_sum '[Ce8 Ho4 Cu4 Se20]'
_cell_volume [864.1956]
_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
[
  Ce  Ce0  4  0.0000  0.1112  0.3472  1
  Ce  Ce1  4  0.0000  0.1189  0.6949  1
  Ho  Ho2  4  0.0000  0.1789  0.0248  1
  Cu  Cu3  4  0.0000  0.4449  0.4237  1
  Se  Se4  4  0.0000  0.0166  0.0186  1
  Se  Se5  4  0.0000  0.3038  0.6868  1
  Se  Se6  4  0.0000  0.3089  0.3598  1
  Se  Se7  4  0.0000  0.3444  0.0196  1
  Se  Se8  4  0.0000  0.4963  0.7486  1
]