data_[Na8Sr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2194]
_cell_length_b [13.0900]
_cell_length_c [6.6682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2SrSe3]
_chemical_formula_sum '[Na8 Sr4 Se12]'
_cell_volume [689.0243]
_cell_formula_units_Z [4]
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  0.1403  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Sr  Sr3  4  0.0000  0.3442  0.5000  1.0
  Se  Se4  8  0.2416  0.3172  0.1245  1.0
  Se  Se5  4  0.2450  0.5000  0.5585  1.0
]