data_[Nd4Ga8Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6320]
_cell_length_b [4.3488]
_cell_length_c [10.4139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdGa2Ni]
_chemical_formula_sum '[Nd4 Ga8 Ni4]'
_cell_volume [300.3498]
_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  0.2015  0.7500  0.1353  1.0
  Ga  Ga1  4  0.1231  0.7500  0.8232  1.0
  Ga  Ga2  4  0.2108  0.7500  0.4343  1.0
  Ni  Ni3  4  0.0242  0.2500  0.3909  1.0
]