data_[Na4Zr2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8598]
_cell_length_b [3.9641]
_cell_length_c [8.9419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na2ZrSe3]
_chemical_formula_sum '[Na4 Zr2 Se6]'
_cell_volume [311.9585]
_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  0.1295  0.7500  0.6181  1
  Na  Na1  2  0.4773  0.7500  0.3480  1
  Zr  Zr2  2  0.1737  0.2500  0.1308  1
  Se  Se3  2  0.0428  0.2500  0.8330  1
  Se  Se4  2  0.2570  0.2500  0.4293  1
  Se  Se5  2  0.3450  0.7500  0.0511  1
]