data_[In1Pb4C2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7695]
_cell_length_b [3.7695]
_cell_length_c [14.9416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [InPb4C2S]
_chemical_formula_sum '[In1 Pb4 C2 S1]'
_cell_volume [183.8594]
_cell_formula_units_Z [1]
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
[
  In  In0  1  0.0000  0.0000  0.0000  1
  Pb  Pb1  2  0.0000  0.0000  0.3685  1
  Pb  Pb2  2  0.6667  0.3333  0.1816  1
  C  C3  2  0.3333  0.6667  0.2572  1
  S  S4  1  0.6667  0.3333  0.5000  1
]