data_[V1In2Pb1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [7.4383]
_cell_length_b [7.4383]
_cell_length_c [5.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [VIn2PbCl6]
_chemical_formula_sum '[V1 In2 Pb1 Cl6]'
_cell_volume [314.0874]
_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
[
  V  V0  1  0.0000  0.0000  0.6337  1.0
  In  In1  2  0.0000  0.5000  0.0320  1.0
  Pb  Pb2  1  0.5000  0.5000  0.6069  1.0
  Cl  Cl3  4  0.2301  0.2301  0.7038  1.0
  Cl  Cl4  1  0.0000  0.0000  0.2106  1.0
  Cl  Cl5  1  0.5000  0.5000  0.1165  1.0
]