data_[In4As4Pb2]
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 [Pm]
_cell_length_a [8.9782]
_cell_length_b [6.2887]
_cell_length_c [19.5442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In2As2Pb]
_chemical_formula_sum '[In4 As4 Pb2]'
_cell_volume [1103.4978]
_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  0.8273  0.2409  0.5176  1
  In  In1  1  0.3077  0.0000  0.3928  1
  In  In2  1  0.7141  0.5000  0.3923  1
  As  As3  2  0.1321  0.1998  0.5303  1
  As  As4  1  0.0078  0.0000  0.6248  1
  As  As5  1  0.4143  0.5000  0.4178  1
  Pb  Pb6  2  0.4693  0.2555  0.5382  1
]