data_[Na4In4Ga6]
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 [12.4961]
_cell_length_b [4.4463]
_cell_length_c [6.9850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2In2Ga3]
_chemical_formula_sum '[Na4 In4 Ga6]'
_cell_volume [338.7846]
_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  4  0.1407  0.0000  0.7908  1
  In  In1  4  0.1674  0.0000  0.2866  1
  Ga  Ga2  4  0.0750  0.5000  0.4266  1
  Ga  Ga3  2  0.0000  0.5000  0.0000  1
]