data_[In6As6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4155]
_cell_length_b [3.9760]
_cell_length_c [22.0356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In3As3Pb2]
_chemical_formula_sum '[In6 As6 Pb4]'
_cell_volume [1087.7685]
_cell_formula_units_Z [2]
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  2  0.0333  0.0000  0.3588  1
  In  In1  2  0.2223  0.5000  0.3680  1
  In  In2  2  0.3439  0.5000  0.6093  1
  As  As3  2  0.0986  0.0000  0.6146  1
  As  As4  2  0.2527  0.0000  0.6781  1
  As  As5  2  0.3801  0.0000  0.3758  1
  Pb  Pb6  2  0.1769  0.0000  0.4940  1
  Pb  Pb7  2  0.4526  0.0000  0.5014  1
]