data_[Ag4Ir4Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7135]
_cell_length_b [15.3202]
_cell_length_c [9.4304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AgIrPbS3]
_chemical_formula_sum '[Ag4 Ir4 Pb4 S12]'
_cell_volume [536.5073]
_cell_formula_units_Z [4]
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
[
  Ag  Ag0  4  0.0000  0.3364  0.7500  1
  Ir  Ir1  4  0.0000  0.0000  0.0000  1
  Pb  Pb2  4  0.0000  0.3236  0.2500  1
  S  S3  8  0.0000  0.4012  0.5187  1
  S  S4  4  0.0000  0.0446  0.7500  1
]