data_[Ba2Li4La2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7346]
_cell_length_b [3.7918]
_cell_length_c [5.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaLi2La]
_chemical_formula_sum '[Ba2 Li4 La2]'
_cell_volume [270.3147]
_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  0.4759  0.0000  0.4466  1
  Li  Li1  2  0.0317  0.0000  0.9880  1
  Li  Li2  2  0.2155  0.5000  0.2550  1
  La  La3  2  0.2769  0.0000  0.8104  1
]