data_[Ba2In2Ag4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.0140]
_cell_length_b [7.0140]
_cell_length_c [8.1299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [BaIn(AgS2)2]
_chemical_formula_sum '[Ba2 In2 Ag4 S8]'
_cell_volume [399.9589]
_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  2  0.0000  0.0000  0.5000  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.5000  0.2500  1.0
  S  S3  8  0.2035  0.2035  0.1843  1.0
]