data_[Na8Cu2Sn6Se16]
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 [C2/m]
_cell_length_a [14.0024]
_cell_length_b [7.8798]
_cell_length_c [8.4757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4CuSn3Se8]
_chemical_formula_sum '[Na8 Cu2 Sn6 Se16]'
_cell_volume [784.0803]
_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  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  4  0.2500  0.2500  0.5000  1.0
  Sn  Sn5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  8  0.0093  0.2338  0.2928  1.0
  Se  Se7  4  0.2436  0.5000  0.7319  1.0
  Se  Se8  4  0.2482  0.0000  0.7282  1.0
]