data_[Na4Cu4Sn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.3973]
_cell_length_b [3.9717]
_cell_length_c [10.6693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaCuSnSe3]
_chemical_formula_sum '[Na4 Cu4 Sn4 Se12]'
_cell_volume [567.7143]
_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  0.2187  0.7500  0.9718  1
  Cu  Cu1  4  0.0097  0.2500  0.9272  1
  Sn  Sn2  4  0.0170  0.7500  0.6622  1
  Se  Se3  4  0.0978  0.2500  0.1274  1
  Se  Se4  4  0.1119  0.7500  0.4381  1
  Se  Se5  4  0.1367  0.2500  0.7562  1
]