data_[Ho4Sc2Te6]
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 [Immm]
_cell_length_a [4.2782]
_cell_length_b [6.0719]
_cell_length_c [12.8683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ho2ScTe3]
_chemical_formula_sum '[Ho4 Sc2 Te6]'
_cell_volume [334.2767]
_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  4  0.0000  0.0000  0.1728  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  Te  Te2  4  0.0000  0.5000  0.1578  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
]