data_[Ho2Sc6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.0536]
_cell_length_b [4.1837]
_cell_length_c [12.3115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(ScTe2)3]
_chemical_formula_sum '[Ho2 Sc6 Te12]'
_cell_volume [585.1936]
_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  0.0477  0.7500  0.6992  1.0
  Sc  Sc1  2  0.1557  0.7500  0.0819  1.0
  Sc  Sc2  2  0.3160  0.2500  0.4975  1.0
  Sc  Sc3  2  0.4358  0.7500  0.8379  1.0
  Te  Te4  2  0.0827  0.2500  0.9054  1.0
  Te  Te5  2  0.1153  0.7500  0.4685  1.0
  Te  Te6  2  0.1976  0.2500  0.2492  1.0
  Te  Te7  2  0.2613  0.2500  0.7238  1.0
  Te  Te8  2  0.3909  0.7500  0.0610  1.0
  Te  Te9  2  0.4789  0.7500  0.6170  1.0
]