data_[Na8Ta4]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.1848]
_cell_length_b [6.1848]
_cell_length_c [8.1401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Na2Ta]
_chemical_formula_sum '[Na8 Ta4]'
_cell_volume [269.6581]
_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  6  0.1826  0.3651  0.2500  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Ta  Ta2  4  0.3333  0.6667  0.6052  1
]