data_[Ce2Ho12Sc2]
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 [C2/m]
_cell_length_a [8.6313]
_cell_length_b [9.1983]
_cell_length_c [6.3305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeHo6Sc]
_chemical_formula_sum '[Ce2 Ho12 Sc2]'
_cell_volume [497.4167]
_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  0.0000  0.5000  1
  Ho  Ho1  8  0.1652  0.3172  0.2087  1
  Ho  Ho2  4  0.1557  0.5000  0.7015  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
]