data_[Nd12Ga4Si4]
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 [15.5537]
_cell_length_b [4.1716]
_cell_length_c [8.5717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3GaSi]
_chemical_formula_sum '[Nd12 Ga4 Si4]'
_cell_volume [555.1955]
_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
[
  Nd  Nd0  4  0.0472  0.5000  0.6744  1.0
  Nd  Nd1  4  0.0942  0.0000  0.0801  1.0
  Nd  Nd2  4  0.2366  0.5000  0.3235  1.0
  Ga  Ga3  4  0.2089  0.5000  0.9296  1.0
  Si  Si4  4  0.1059  0.0000  0.4338  1.0
]