data_[Ba3In9Pb6S24]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0193]
_cell_length_b [8.0193]
_cell_length_c [21.5601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaIn3(PbS4)2]
_chemical_formula_sum '[Ba3 In9 Pb6 S24]'
_cell_volume [1200.7482]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8646  1
  In  In1  9  0.1680  0.3361  0.3323  1
  Pb  Pb2  3  0.0000  0.0000  0.1194  1
  Pb  Pb3  3  0.0000  0.0000  0.5091  1
  S  S4  9  0.0340  0.5170  0.2645  1
  S  S5  9  0.1806  0.3612  0.0706  1
  S  S6  3  0.0000  0.0000  0.2695  1
  S  S7  3  0.0000  0.0000  0.7276  1
]