data_[Li4Nd16Ga4]
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 [Cmc2_1]
_cell_length_a [3.6183]
_cell_length_b [33.8031]
_cell_length_c [5.8700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd4Ga]
_chemical_formula_sum '[Li4 Nd16 Ga4]'
_cell_volume [717.9615]
_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  0.0000  0.4998  0.4517  1
  Nd  Nd1  4  0.0000  0.0776  0.2050  1
  Nd  Nd2  4  0.0000  0.2635  0.1460  1
  Nd  Nd3  4  0.0000  0.3330  0.5677  1
  Nd  Nd4  4  0.0000  0.4066  0.1761  1
  Ga  Ga5  4  0.0000  0.1633  0.5200  1
]