data_[Nd3Zn6Ga3Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0828]
_cell_length_b [4.0828]
_cell_length_c [25.0214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdZn2GaNi4]
_chemical_formula_sum '[Nd3 Zn6 Ga3 Ni12]'
_cell_volume [361.2107]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Zn  Zn1  6  0.0000  0.0000  0.2387  1
  Ga  Ga2  3  -0.0000  -0.0000  0.5000  1
  Ni  Ni3  6  0.0000  0.0000  0.1317  1
  Ni  Ni4  6  0.0000  0.0000  0.4061  1
]