data_[Na4In8Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2089]
_cell_length_b [4.0632]
_cell_length_c [9.7378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaIn2Ga3]
_chemical_formula_sum '[Na4 In8 Ga12]'
_cell_volume [582.3778]
_cell_formula_units_Z [4]
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  4  0.1316  0.0000  0.9675  1.0
  In  In1  4  0.0518  0.5000  0.1801  1.0
  In  In2  4  0.2359  0.0000  0.7432  1.0
  Ga  Ga3  4  0.0521  0.0000  0.4158  1.0
  Ga  Ga4  4  0.0825  0.5000  0.6666  1.0
  Ga  Ga5  4  0.1919  0.5000  0.4975  1.0
]