data_[Na2Mn1Tl1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  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 [6.5411]
_cell_length_b [6.9137]
_cell_length_c [7.8323]
_cell_angle_alpha [89.0331]
_cell_angle_beta [89.2525]
_cell_angle_gamma [69.9974]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2MnTlCl8]
_chemical_formula_sum '[Na2 Mn1 Tl1 Cl8]'
_cell_volume [332.7777]
_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  0.3638  0.4635  0.2430  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.0778  0.2323  0.2531  1.0
  Cl  Cl4  2  0.0874  0.2002  0.7896  1.0
  Cl  Cl5  2  0.3521  0.7851  0.0059  1.0
  Cl  Cl6  2  0.3880  0.7629  0.4816  1.0
]