data_[Sr3In12Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.7243]
_cell_length_b [7.7243]
_cell_length_c [21.8630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrIn4PbS8]
_chemical_formula_sum '[Sr3 In12 Pb3 S24]'
_cell_volume [1129.6984]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.9852  1.0
  In  In1  9  0.1747  0.3493  0.8255  1.0
  In  In2  3  0.0000  0.0000  0.4704  1.0
  Pb  Pb3  3  0.0000  0.0000  0.6354  1.0
  S  S4  9  0.0055  0.5028  0.2254  1.0
  S  S5  9  0.0101  0.5051  0.7528  1.0
  S  S6  3  0.0000  0.0000  0.2256  1.0
  S  S7  3  0.0000  0.0000  0.7722  1.0
]