data_[Ba2La1Ce1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.4095]
_cell_length_b [4.8275]
_cell_length_c [8.5637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2LaCeBi4]
_chemical_formula_sum '[Ba2 La1 Ce1 Bi4]'
_cell_volume [328.4047]
_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  1  0.0000  0.0000  0.0000  1.0
  Ba  Ba1  1  0.5000  0.5000  0.0000  1.0
  La  La2  1  0.5000  0.0000  0.5000  1.0
  Ce  Ce3  1  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  2  0.2298  0.0000  0.7134  1.0
  Bi  Bi5  2  0.2526  0.5000  0.2818  1.0
]