data_[Ho2Sc12In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0778]
_cell_length_b [10.6551]
_cell_length_c [6.1974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoSc6In]
_chemical_formula_sum '[Ho2 Sc12 In2]'
_cell_volume [401.3391]
_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
[
  Ho  Ho0  2  0.0000  0.0000  0.5000  1
  Sc  Sc1  8  0.2128  0.2254  0.7503  1
  Sc  Sc2  4  0.0459  0.5000  0.7511  1
  In  In3  2  0.0000  0.0000  0.0000  1
]