data_[Li4La2Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.6223]
_cell_length_b [5.4872]
_cell_length_c [10.6123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Li2LaSc]
_chemical_formula_sum '[Li4 La2 Sc2]'
_cell_volume [210.9358]
_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  2  0.0000  0.0000  0.0245  1
  Li  Li1  2  0.0000  0.5000  0.2445  1
  La  La2  2  0.0000  0.5000  0.7487  1
  Sc  Sc3  2  0.0000  0.0000  0.4824  1
]