data_[Ho4In2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6607]
_cell_length_b [3.9516]
_cell_length_c [6.9154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2InS4]
_chemical_formula_sum '[Ho4 In2 S8]'
_cell_volume [359.2179]
_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  0.2295  0.5000  0.7202  1
  In  In1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.1308  0.0000  0.4483  1
  S  S3  4  0.1438  0.5000  0.9980  1
]