data_[Na4Cd8Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9069]
_cell_length_b [4.5908]
_cell_length_c [7.0164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCd2Ga3]
_chemical_formula_sum '[Na4 Cd8 Ga12]'
_cell_volume [536.9145]
_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  0.1149  0.0000  0.1552  1.0
  Cd  Cd1  4  0.0220  0.5000  0.8129  1.0
  Cd  Cd2  4  0.2440  0.0000  0.6499  1.0
  Ga  Ga3  4  0.0773  0.0000  0.6423  1.0
  Ga  Ga4  4  0.1315  0.5000  0.5070  1.0
  Ga  Ga5  4  0.2017  0.5000  0.9175  1.0
]