data_[Na2Zn2Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0839]
_cell_length_b [4.0839]
_cell_length_c [11.9496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [NaZnGa3]
_chemical_formula_sum '[Na2 Zn2 Ga6]'
_cell_volume [199.2958]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.6039  1.0
  Zn  Zn1  2  0.0000  0.0000  0.2062  1.0
  Ga  Ga2  4  0.0000  0.5000  0.3486  1.0
  Ga  Ga3  2  0.0000  0.0000  0.9953  1.0
]