data_[Ca3In12Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [7.9106]
_cell_length_b [7.9106]
_cell_length_c [20.1869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaIn4PbS8]
_chemical_formula_sum '[Ca3 In12 Pb3 S24]'
_cell_volume [1094.0034]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.9963  1.0
  In  In1  9  0.0063  0.5031  0.5012  1.0
  In  In2  3  0.0000  0.0000  0.3828  1.0
  Pb  Pb3  3  0.0000  0.0000  0.6260  1.0
  S  S4  9  0.0196  0.5098  0.7558  1.0
  S  S5  9  0.1806  0.3613  0.5718  1.0
  S  S6  3  0.0000  0.0000  0.2414  1.0
  S  S7  3  0.0000  0.0000  0.7671  1.0
]