data_[Ba2Ni2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3728]
_cell_length_b [12.3116]
_cell_length_c [4.4644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.5390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNiPb2]
_chemical_formula_sum '[Ba2 Ni2 Pb4]'
_cell_volume [253.9174]
_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  0.0000  0.5000  0.5000  1
  Ni  Ni1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.2500  0.2500  0.0000  1
]