data_[Na4Ca2Al2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.8711]
_cell_length_b [8.9199]
_cell_length_c [7.7037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2CaAlSb2]
_chemical_formula_sum '[Na4 Ca2 Al2 Sb4]'
_cell_volume [334.7229]
_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  0.3469  0.8322  1.0
  Na  Na1  2  0.5000  0.4246  0.5158  1.0
  Ca  Ca2  2  0.0000  0.0328  0.5095  1.0
  Al  Al3  2  0.5000  0.1772  0.1612  1.0
  Sb  Sb4  2  0.0000  0.3122  0.2445  1.0
  Sb  Sb5  2  0.5000  0.1281  0.7824  1.0
]