data_[Ce4Ho4Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1181]
_cell_length_b [14.6482]
_cell_length_c [9.0784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce2Ho2Se7]
_chemical_formula_sum '[Ce4 Ho4 Se14]'
_cell_volume [547.6271]
_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
[
  Ce  Ce0  4  0.0000  0.2603  0.4115  1.0
  Ho  Ho1  2  0.0000  0.0000  0.2149  1.0
  Ho  Ho2  2  0.0000  0.5000  0.1720  1.0
  Se  Se3  4  0.0000  0.1378  0.7180  1.0
  Se  Se4  4  0.0000  0.1829  0.1098  1.0
  Se  Se5  4  0.0000  0.3907  0.8949  1.0
  Se  Se6  2  0.0000  0.5000  0.4910  1.0
]