data_[Tb2Y12Ho6Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1003]
_cell_length_b [10.5539]
_cell_length_c [11.6566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbY6Ho3Sc2]
_chemical_formula_sum '[Tb2 Y12 Ho6 Sc4]'
_cell_volume [739.0209]
_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  0.0000  0.0000  1.0
  Y  Y1  8  0.2497  0.3322  0.7547  1.0
  Y  Y2  4  0.2466  0.5000  0.2453  1.0
  Ho  Ho3  4  0.0000  0.1670  0.5000  1.0
  Ho  Ho4  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc5  4  0.0000  0.3333  0.0000  1.0
]