data_[Na4Sb4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1361]
_cell_length_b [4.0792]
_cell_length_c [7.1439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sb2Se3]
_chemical_formula_sum '[Na4 Sb4 Se6]'
_cell_volume [403.3681]
_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  0.1267  0.0000  0.3697  1
  Sb  Sb1  4  0.1189  0.5000  0.8457  1
  Se  Se2  4  0.2395  0.0000  0.7634  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
]