data_[Ba8Ho4Ga4S20]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0541]
_cell_length_b [18.3736]
_cell_length_c [13.0074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoGaS5]
_chemical_formula_sum '[Ba8 Ho4 Ga4 S20]'
_cell_volume [968.8958]
_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  0.1199  0.6847  1.0
  Ba  Ba1  4  0.0000  0.1285  0.3251  1.0
  Ho  Ho2  4  0.0000  0.2051  0.0270  1.0
  Ga  Ga3  4  0.0000  0.4405  0.4292  1.0
  S  S4  4  0.0000  0.0470  0.0278  1.0
  S  S5  4  0.0000  0.2960  0.6641  1.0
  S  S6  4  0.0000  0.3172  0.3797  1.0
  S  S7  4  0.0000  0.3471  0.0074  1.0
  S  S8  4  0.0000  0.5000  0.2790  1.0
]