data_[Na2Ni2Sn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4465]
_cell_length_b [4.0489]
_cell_length_c [8.7643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaNiSnSe3]
_chemical_formula_sum '[Na2 Ni2 Sn2 Se6]'
_cell_volume [294.4530]
_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  0.1712  0.2500  0.2242  1.0
  Ni  Ni1  2  0.0747  0.2500  0.5689  1.0
  Sn  Sn2  2  0.3357  0.7500  0.8549  1.0
  Se  Se3  2  0.1061  0.2500  0.8487  1.0
  Se  Se4  2  0.2043  0.7500  0.5333  1.0
  Se  Se5  2  0.4286  0.7500  0.1706  1.0
]