data_[Ba8Ho4In4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Cmc2_1]
_cell_length_a [4.1442]
_cell_length_b [18.3269]
_cell_length_c [13.0205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoInS5]
_chemical_formula_sum '[Ba8 Ho4 In4 S20]'
_cell_volume [988.9156]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.1164  0.6827  1
  Ba  Ba1  4  0.0000  0.1331  0.3143  1
  Ho  Ho2  4  0.0000  0.2124  0.0209  1
  In  In3  4  0.0000  0.4469  0.4426  1
  S  S4  4  0.0000  0.0529  0.0522  1
  S  S5  4  0.0000  0.2897  0.6566  1
  S  S6  4  0.0000  0.3135  0.3772  1
  S  S7  4  0.0000  0.3547  0.0025  1
  S  S8  4  0.0000  0.4962  0.7748  1
]