data_[Tb8Ho2Sc6]
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 [10.9626]
_cell_length_b [7.0625]
_cell_length_c [6.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4HoSc3]
_chemical_formula_sum '[Tb8 Ho2 Sc6]'
_cell_volume [472.0660]
_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  4  0.2454  0.8678  0.4841  1.0
  Tb  Tb1  2  0.0000  0.1327  0.6473  1.0
  Tb  Tb2  2  0.0000  0.8680  0.1372  1.0
  Ho  Ho3  2  0.0000  0.3821  0.1519  1.0
  Sc  Sc4  4  0.2492  0.3819  0.4798  1.0
  Sc  Sc5  2  0.0000  0.6180  0.6511  1.0
]