data_[Na6Ta2Ag4Te12]
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
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2676]
_cell_length_b [12.9811]
_cell_length_c [7.7074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ta(AgTe3)2]
_chemical_formula_sum '[Na6 Ta2 Ag4 Te12]'
_cell_volume [695.7610]
_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  0.0000  0.1823  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  4  0.0000  0.3368  0.0000  1
  Te  Te4  8  0.2378  0.1567  0.2059  1
  Te  Te5  4  0.2243  0.0000  0.7677  1
]