data_[Ba4Ho2Sb2S12]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1615]
_cell_length_b [7.2715]
_cell_length_c [12.4506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2HoSbS6]
_chemical_formula_sum '[Ba4 Ho2 Sb2 S12]'
_cell_volume [531.8376]
_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
[
  Ba  Ba0  4  0.2343  0.5619  0.7491  1
  Ho  Ho1  2  0.5000  0.0000  0.0000  1
  Sb  Sb2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1574  0.7111  0.4619  1
  S  S4  4  0.2431  0.1975  0.4567  1
  S  S5  4  0.3203  0.5030  0.2426  1
]