data_[Li1Nd5Ga4]
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 [P4/mmm]
_cell_length_a [3.6911]
_cell_length_b [3.6911]
_cell_length_c [18.9710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiNd5Ga4]
_chemical_formula_sum '[Li1 Nd5 Ga4]'
_cell_volume [258.4706]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  2  0.5000  0.5000  0.1117  1.0
  Nd  Nd2  2  0.5000  0.5000  0.3048  1.0
  Nd  Nd3  1  0.5000  0.5000  0.5000  1.0
  Ga  Ga4  2  0.0000  0.0000  0.2026  1.0
  Ga  Ga5  2  0.0000  0.0000  0.4021  1.0
]