data_[Tb20Ho8Th4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6535]
_cell_length_b [21.7390]
_cell_length_c [9.4323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb5Ho2ThSc]
_chemical_formula_sum '[Tb20 Ho8 Th4 Sc4]'
_cell_volume [1159.2370]
_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
[
  Tb  Tb0  4  0.0000  0.0135  0.5136  1
  Tb  Tb1  4  0.0000  0.2696  0.8240  1
  Tb  Tb2  4  0.0000  0.3032  0.2189  1
  Tb  Tb3  4  0.0000  0.3964  0.5455  1
  Tb  Tb4  4  0.0000  0.4700  0.2481  1
  Ho  Ho5  4  0.0000  0.1156  0.8228  1
  Ho  Ho6  4  0.0000  0.1322  0.2101  1
  Th  Th7  4  0.0000  0.4012  0.9262  1
  Sc  Sc8  4  0.0000  0.1882  0.5148  1
]