data_[Na3Ga6Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2313]
_cell_length_b [4.2313]
_cell_length_c [15.9536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaGa2Cu]
_chemical_formula_sum '[Na3 Ga6 Cu3]'
_cell_volume [247.3593]
_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  3  0.0000  0.0000  0.5053  1.0
  Ga  Ga1  3  0.0000  0.0000  0.7066  1.0
  Ga  Ga2  3  0.0000  0.0000  0.9668  1.0
  Cu  Cu3  3  0.0000  0.0000  0.3213  1.0
]