data_[Nd6Zn45Ga6]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0884]
_cell_length_b [9.0884]
_cell_length_c [13.2139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2Zn15Ga2]
_chemical_formula_sum '[Nd6 Zn45 Ga6]'
_cell_volume [945.2322]
_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  6  0.0000  0.0000  0.3338  1.0
  Zn  Zn1  18  0.0000  0.3031  0.0000  1.0
  Zn  Zn2  18  0.0104  0.5052  0.1555  1.0
  Zn  Zn3  9  0.0000  0.5000  0.5000  1.0
  Ga  Ga4  6  0.0000  0.0000  0.0975  1.0
]