data_[Tb6Ho12In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.8161]
_cell_length_b [3.5359]
_cell_length_c [14.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3Ho6In]
_chemical_formula_sum '[Tb6 Ho12 In2]'
_cell_volume [617.6096]
_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  0.0332  0.7500  0.9088  1.0
  Tb  Tb1  2  0.1230  0.7500  0.5032  1.0
  Tb  Tb2  2  0.4904  0.7500  0.1029  1.0
  Ho  Ho3  2  0.1141  0.2500  0.7098  1.0
  Ho  Ho4  2  0.1635  0.7500  0.2817  1.0
  Ho  Ho5  2  0.2481  0.2500  0.1075  1.0
  Ho  Ho6  2  0.2816  0.7500  0.8993  1.0
  Ho  Ho7  2  0.3565  0.7500  0.6924  1.0
  Ho  Ho8  2  0.3628  0.2500  0.4770  1.0
  In  In9  2  0.4233  0.7500  0.3048  1.0
]