data_[Ce3Ho18Sc6]
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 [R3m]
_cell_length_a [7.1070]
_cell_length_b [7.1070]
_cell_length_c [18.5452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ce(Ho3Sc)2]
_chemical_formula_sum '[Ce3 Ho18 Sc6]'
_cell_volume [811.2070]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6812  1
  Ho  Ho1  9  0.1706  0.3411  0.5670  1
  Ho  Ho2  9  0.1856  0.3711  0.7631  1
  Sc  Sc3  3  0.0000  0.0000  0.2434  1
  Sc  Sc4  3  0.0000  0.0000  0.4196  1
]