data_[Na2Cd2Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7434]
_cell_length_b [5.0508]
_cell_length_c [7.1650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NaCdSb]
_chemical_formula_sum '[Na2 Cd2 Sb2]'
_cell_volume [171.6582]
_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  1  0.5000  0.0000  0.9721  1.0
  Na  Na1  1  0.5000  0.5000  0.2776  1.0
  Cd  Cd2  1  0.0000  0.5000  0.9722  1.0
  Cd  Cd3  1  0.5000  0.0000  0.5177  1.0
  Sb  Sb4  1  0.0000  0.0000  0.2527  1.0
  Sb  Sb5  1  0.5000  0.5000  0.7344  1.0
]