data_[Na1Mn1Tl2Cl6]
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 [7.0471]
_cell_length_b [7.1301]
_cell_length_c [7.3325]
_cell_angle_alpha [118.8031]
_cell_angle_beta [117.6405]
_cell_angle_gamma [90.3550]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaMn(TlCl3)2]
_chemical_formula_sum '[Na1 Mn1 Tl2 Cl6]'
_cell_volume [273.1940]
_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  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.2664  0.2288  0.9993  1.0
  Cl  Cl3  2  0.2050  0.8168  0.4670  1.0
  Cl  Cl4  2  0.2773  0.7852  0.0084  1.0
  Cl  Cl5  2  0.3394  0.2833  0.5154  1.0
]