data_[Ho12Te6As4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5428]
_cell_length_b [4.1806]
_cell_length_c [8.5021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Te3As2Se]
_chemical_formula_sum '[Ho12 Te6 As4 Se2]'
_cell_volume [636.3063]
_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  0.0097  0.0000  0.2354  1.0
  Ho  Ho1  4  0.1625  0.5000  0.1059  1.0
  Ho  Ho2  4  0.1749  0.5000  0.5642  1.0
  Te  Te3  4  0.1649  0.0000  0.8330  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1665  0.0000  0.3327  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]