data_[Ba4In2P2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1986]
_cell_length_b [4.8210]
_cell_length_c [10.2037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2InPPb]
_chemical_formula_sum '[Ba4 In2 P2 Pb2]'
_cell_volume [385.7830]
_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
[
  Ba  Ba0  2  0.1866  0.2500  0.3884  1.0
  Ba  Ba1  2  0.2274  0.2500  0.9757  1.0
  In  In2  2  0.4840  0.7500  0.2660  1.0
  P  P3  2  0.1630  0.7500  0.1731  1.0
  Pb  Pb4  2  0.3026  0.7500  0.6956  1.0
]