data_[Ba4Ga8As4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1876]
_cell_length_b [10.9633]
_cell_length_c [7.9207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaGa2AsS6]
_chemical_formula_sum '[Ba4 Ga8 As4 S24]'
_cell_volume [1080.2569]
_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  0.2079  0.2500  1
  Ga  Ga1  8  0.2167  0.4258  0.1376  1
  As  As2  4  0.0000  0.2034  0.7500  1
  S  S3  8  0.0960  0.0765  0.6608  1
  S  S4  8  0.1508  0.2302  0.0724  1
  S  S5  8  0.1623  0.4450  0.3811  1
]