data_[Nd4Ga8Ni12]
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 [Cmcm]
_cell_length_a [9.4144]
_cell_length_b [7.8159]
_cell_length_c [5.1857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdGa2Ni3]
_chemical_formula_sum '[Nd4 Ga8 Ni12]'
_cell_volume [381.5752]
_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  0.0000  0.3118  0.2500  1.0
  Ga  Ga1  8  0.2188  0.0000  0.0000  1.0
  Ni  Ni2  8  0.1698  0.2781  0.7500  1.0
  Ni  Ni3  4  0.0000  0.0520  0.7500  1.0
]