data_[Li6La6]
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 [Cm]
_cell_length_a [13.3156]
_cell_length_b [3.6272]
_cell_length_c [7.3502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiLa]
_chemical_formula_sum '[Li6 La6]'
_cell_volume [343.2502]
_cell_formula_units_Z [6]
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  2  0.0463  0.0000  0.5523  1.0
  Li  Li1  2  0.1791  0.5000  0.8361  1.0
  Li  Li2  2  0.1833  0.5000  0.4332  1.0
  La  La3  2  0.0461  0.0000  0.0757  1.0
  La  La4  2  0.3360  0.0000  0.2134  1.0
  La  La5  2  0.3758  0.0000  0.7227  1.0
]