data_[Ce2Ho6Sc8]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.8102]
_cell_length_b [6.8679]
_cell_length_c [5.9770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CeHo3Sc4]
_chemical_formula_sum '[Ce2 Ho6 Sc8]'
_cell_volume [443.7538]
_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  2  0.0000  0.3679  0.1429  1
  Ho  Ho1  4  0.2496  0.6341  0.9840  1
  Ho  Ho2  2  0.0000  0.6307  0.6426  1
  Sc  Sc3  4  0.2494  0.8801  0.4786  1
  Sc  Sc4  2  0.0000  0.1181  0.6549  1
  Sc  Sc5  2  0.0000  0.8858  0.1497  1
]