data_[Ho8In6Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6610]
_cell_length_b [12.5497]
_cell_length_c [8.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.7681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho4In3Te8]
_chemical_formula_sum '[Ho8 In6 Te16]'
_cell_volume [1006.7605]
_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  0.2500  0.2500  0.0000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.0000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.5000  1.0
  In  In3  4  0.2500  0.2500  0.5000  1.0
  In  In4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  4  0.0000  0.2436  0.5000  1.0
  Te  Te6  4  0.0000  0.2485  0.0000  1.0
  Te  Te7  4  0.2326  0.0000  0.4838  1.0
  Te  Te8  4  0.2419  0.0000  0.9882  1.0
]