data_[Na2Mn1Tl1Cl6]
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 [P1]
_cell_length_a [6.9124]
_cell_length_b [6.9842]
_cell_length_c [7.4775]
_cell_angle_alpha [89.9684]
_cell_angle_beta [62.7434]
_cell_angle_gamma [62.9065]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2MnTlCl6]
_chemical_formula_sum '[Na2 Mn1 Tl1 Cl6]'
_cell_volume [275.6478]
_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  1  0.9497  0.5380  0.5721  1.0
  Na  Na1  1  0.9751  0.9977  0.0189  1.0
  Mn  Mn2  1  0.3474  0.3236  0.9817  1.0
  Tl  Tl3  1  0.3780  0.8159  0.4315  1.0
  Cl  Cl4  1  0.1648  0.1491  0.2109  1.0
  Cl  Cl5  1  0.2014  0.2561  0.7783  1.0
  Cl  Cl6  1  0.4772  0.5416  0.7804  1.0
  Cl  Cl7  1  0.4804  0.3796  0.2032  1.0
  Cl  Cl8  1  0.7896  0.9601  0.7707  1.0
  Cl  Cl9  1  0.9132  0.7000  0.2370  1.0
]