data_[Na4Zr2Al4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5742]
_cell_length_b [11.3681]
_cell_length_c [7.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Zr(AlSe3)2]
_chemical_formula_sum '[Na4 Zr2 Al4 Se12]'
_cell_volume [533.3311]
_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  0.0000  0.1618  0.0000  1.0
  Zr  Zr1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  4  0.0000  0.3307  0.5000  1.0
  Se  Se3  8  0.2401  0.1742  0.7076  1.0
  Se  Se4  4  0.2174  0.5000  0.7044  1.0
]