data_[Ba8Ho4Sn4S20]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3571]
_cell_length_b [18.0128]
_cell_length_c [12.8661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoSnS5]
_chemical_formula_sum '[Ba8 Ho4 Sn4 S20]'
_cell_volume [1009.7794]
_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  0.1140  0.6813  1.0
  Ba  Ba1  4  0.0000  0.1342  0.3108  1.0
  Ho  Ho2  4  0.0000  0.2129  0.0201  1.0
  Sn  Sn3  4  0.0000  0.4525  0.4522  1.0
  S  S4  4  0.0000  0.0546  0.0528  1.0
  S  S5  4  0.0000  0.2877  0.6542  1.0
  S  S6  4  0.0000  0.3159  0.3791  1.0
  S  S7  4  0.0000  0.3579  0.0001  1.0
  S  S8  4  0.0000  0.4959  0.7734  1.0
]