data_[Na6Mg3Ga36Ni9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  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 [8.8488]
_cell_length_b [8.8488]
_cell_length_c [16.8567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2Mg(Ga4Ni)3]
_chemical_formula_sum '[Na6 Mg3 Ga36 Ni9]'
_cell_volume [1143.0809]
_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
[
  Na  Na0  6  0.0000  0.0000  0.4143  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Ga  Ga2  18  0.0357  0.5179  0.3615  1
  Ga  Ga3  18  0.0790  0.5395  0.8103  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]