data_[Ce4Ho8Se16]
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 [Pnma]
_cell_length_a [13.6114]
_cell_length_b [4.0366]
_cell_length_c [13.6322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce(HoSe2)2]
_chemical_formula_sum '[Ce4 Ho8 Se16]'
_cell_volume [749.0038]
_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  0.1293  0.7500  0.4111  1
  Ho  Ho1  4  0.1076  0.2500  0.0739  1
  Ho  Ho2  4  0.1513  0.2500  0.6996  1
  Se  Se3  4  0.0316  0.2500  0.8759  1
  Se  Se4  4  0.0322  0.7500  0.6154  1
  Se  Se5  4  0.2122  0.2500  0.2608  1
  Se  Se6  4  0.2440  0.7500  0.0184  1
]