data_[Li18La2Mg6]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8917]
_cell_length_b [14.1730]
_cell_length_c [7.5344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li9LaMg3]
_chemical_formula_sum '[Li18 La2 Mg6]'
_cell_volume [591.8717]
_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
[
  Li  Li0  8  0.0990  0.3937  0.2172  1
  Li  Li1  8  0.1644  0.1779  0.3546  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  La  La3  2  0.0000  0.0000  0.0000  1
  Mg  Mg4  4  0.2500  0.2500  0.0000  1
  Mg  Mg5  2  0.0000  0.0000  0.5000  1
]