data_[Ba4La2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3882]
_cell_length_b [4.1282]
_cell_length_c [21.6645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2La]
_chemical_formula_sum '[Ba4 La2]'
_cell_volume [660.7714]
_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  0.0702  0.2500  0.6538  1
  Ba  Ba1  2  0.4250  0.2500  0.3645  1
  La  La2  2  0.2070  0.7500  0.5043  1
]