data_[Li12Nd4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9123]
_cell_length_b [4.5908]
_cell_length_c [8.5154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3NdGa2]
_chemical_formula_sum '[Li12 Nd4 Ga8]'
_cell_volume [476.9819]
_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  0.0622  0.0000  0.3880  1.0
  Li  Li1  4  0.0913  0.5000  0.6919  1.0
  Li  Li2  4  0.2095  0.5000  0.5247  1.0
  Nd  Nd3  4  0.1359  0.0000  0.0175  1.0
  Ga  Ga4  4  0.0555  0.5000  0.1823  1.0
  Ga  Ga5  4  0.2227  0.0000  0.7400  1.0
]