data_[Li4La8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4450]
_cell_length_b [3.6863]
_cell_length_c [8.7066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiLa2]
_chemical_formula_sum '[Li4 La8]'
_cell_volume [373.8476]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.1893  0.5000  0.5545  1.0
  La  La1  4  0.0266  0.0000  0.7295  1.0
  La  La2  4  0.1626  0.5000  0.1029  1.0
]