data_[La4Cr2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4935]
_cell_length_b [3.6216]
_cell_length_c [8.2278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2CrPb]
_chemical_formula_sum '[La4 Cr2 Pb2]'
_cell_volume [249.7406]
_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
[
  La  La0  4  0.2458  0.0000  0.2263  1
  Cr  Cr1  2  0.0000  0.5000  0.0000  1
  Pb  Pb2  2  0.0000  0.0000  0.5000  1
]