data_[Li4Nd12Ga4]
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 [P2_1/c]
_cell_length_a [7.6293]
_cell_length_b [7.0601]
_cell_length_c [10.8132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiNd3Ga]
_chemical_formula_sum '[Li4 Nd12 Ga4]'
_cell_volume [568.2531]
_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  0.0638  0.7191  0.0391  1.0
  Nd  Nd1  4  0.2049  0.0341  0.2657  1.0
  Nd  Nd2  4  0.2680  0.5525  0.3632  1.0
  Nd  Nd3  4  0.3524  0.1434  0.5749  1.0
  Ga  Ga4  4  0.4325  0.7242  0.6375  1.0
]