data_[Ho12In2Se4S6]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6385]
_cell_length_b [3.9239]
_cell_length_c [8.2412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6InSe2S3]
_chemical_formula_sum '[Ho12 In2 Se4 S6]'
_cell_volume [554.2627]
_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  0.0027  0.0000  0.7303  1
  Ho  Ho1  4  0.1610  0.5000  0.5949  1
  Ho  Ho2  4  0.1717  0.5000  0.0714  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.1699  0.0000  0.3386  1
  S  S5  4  0.1681  0.0000  0.8304  1
  S  S6  2  0.0000  0.5000  0.5000  1
]