data_[Ba2Er1Cd3Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.0378]
_cell_length_b [5.0378]
_cell_length_c [12.9814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2ErCd3Pb4]
_chemical_formula_sum '[Ba2 Er1 Cd3 Pb4]'
_cell_volume [329.4555]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7598  1
  Er  Er1  1  0.5000  0.5000  0.5000  1
  Cd  Cd2  2  0.0000  0.5000  0.1355  1
  Cd  Cd3  1  0.0000  0.0000  0.5000  1
  Pb  Pb4  2  0.0000  0.5000  0.3618  1
  Pb  Pb5  1  0.0000  0.0000  0.0000  1
  Pb  Pb6  1  0.5000  0.5000  0.0000  1
]