data_[Na2Ta1Tl1Cl8]
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
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3665]
_cell_length_b [6.7612]
_cell_length_c [9.2026]
_cell_angle_alpha [82.7507]
_cell_angle_beta [84.2725]
_cell_angle_gamma [85.3367]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2TaTlCl8]
_chemical_formula_sum '[Na2 Ta1 Tl1 Cl8]'
_cell_volume [390.0465]
_cell_formula_units_Z [1]
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  2  0.4177  0.4486  0.6998  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.2024  0.8283  0.1860  1.0
  Cl  Cl4  2  0.2179  0.2732  0.9784  1.0
  Cl  Cl5  2  0.2287  0.8523  0.8172  1.0
  Cl  Cl6  2  0.3080  0.3218  0.4609  1.0
]