data_[Na8Ta2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.2307]
_cell_length_b [9.2307]
_cell_length_c [6.1869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Na4TaSe5]
_chemical_formula_sum '[Na8 Ta2 Se10]'
_cell_volume [527.1548]
_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  8  0.0886  0.3012  0.4959  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0885  1.0
  Se  Se2  8  0.0817  0.2556  0.9901  1.0
  Se  Se3  2  0.0000  0.0000  0.4778  1.0
]