data_[Li2Nd16Ga4]
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 [18.4904]
_cell_length_b [5.1616]
_cell_length_c [7.1814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Nd4Ga)2]
_chemical_formula_sum '[Li2 Nd16 Ga4]'
_cell_volume [671.5424]
_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  0.5000  0.0000  1.0
  Nd  Nd1  4  0.0285  0.0000  0.7520  1.0
  Nd  Nd2  4  0.0935  0.5000  0.4637  1.0
  Nd  Nd3  4  0.1647  0.5000  0.9552  1.0
  Nd  Nd4  4  0.1953  0.0000  0.2998  1.0
  Ga  Ga5  4  0.1971  0.0000  0.7279  1.0
]