data_[Nd4Ga2Si2]
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 [P2_1/m]
_cell_length_a [6.0408]
_cell_length_b [4.0574]
_cell_length_c [8.7276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2GaSi]
_chemical_formula_sum '[Nd4 Ga2 Si2]'
_cell_volume [202.9771]
_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  2  0.2074  0.2500  0.4283  1.0
  Nd  Nd1  2  0.2840  0.7500  0.0694  1.0
  Ga  Ga2  2  0.3572  0.7500  0.7155  1.0
  Si  Si3  2  0.1447  0.2500  0.7865  1.0
]