data_[Nd16Ga4Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1399]
_cell_length_b [5.1079]
_cell_length_c [6.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ga2Si]
_chemical_formula_sum '[Nd16 Ga4 Si2]'
_cell_volume [651.4036]
_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
[
  Nd  Nd0  4  0.0194  0.0000  0.7752  1.0
  Nd  Nd1  4  0.0912  0.5000  0.4588  1.0
  Nd  Nd2  4  0.1576  0.5000  0.9813  1.0
  Nd  Nd3  4  0.2104  0.0000  0.3185  1.0
  Ga  Ga4  4  0.1819  0.0000  0.7454  1.0
  Si  Si5  2  0.0000  0.5000  0.0000  1.0
]