data_[Tb2Ho8Er2Sc4]
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
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9866]
_cell_length_b [6.9904]
_cell_length_c [11.1061]
_cell_angle_alpha [89.9807]
_cell_angle_beta [89.9924]
_cell_angle_gamma [60.0152]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbHo4ErSc2]
_chemical_formula_sum '[Tb2 Ho8 Er2 Sc4]'
_cell_volume [469.8163]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  1  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  2  0.1684  0.1677  0.7449  1.0
  Ho  Ho3  2  0.1697  0.6642  0.7467  1.0
  Ho  Ho4  2  0.3335  0.3337  0.2562  1.0
  Ho  Ho5  2  0.3354  0.8309  0.2532  1.0
  Er  Er6  1  0.0000  0.0000  0.5000  1.0
  Er  Er7  1  0.5000  0.0000  0.0000  1.0
  Sc  Sc8  1  0.0000  0.5000  0.5000  1.0
  Sc  Sc9  1  0.5000  0.0000  0.5000  1.0
  Sc  Sc10  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc11  1  0.5000  0.5000  0.5000  1.0
]