data_[Tb2Ho6Sc8]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.7634]
_cell_length_b [6.9329]
_cell_length_c [6.0033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TbHo3Sc4]
_chemical_formula_sum '[Tb2 Ho6 Sc8]'
_cell_volume [447.9742]
_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  2  0.0000  0.3665  0.1438  1
  Ho  Ho1  4  0.2498  0.6336  0.9853  1
  Ho  Ho2  2  0.0000  0.6333  0.6431  1
  Sc  Sc3  4  0.2494  0.8828  0.4777  1
  Sc  Sc4  2  0.0000  0.1169  0.6513  1
  Sc  Sc5  2  0.0000  0.8827  0.1510  1
]