data_[Mn2Tl3Sn1Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3071]
_cell_length_b [7.3071]
_cell_length_c [9.3913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Mn2Tl3SnCl9]
_chemical_formula_sum '[Mn2 Tl3 Sn1 Cl9]'
_cell_volume [434.2582]
_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
[
  Mn  Mn0  2  0.3333  0.6667  0.8358  1.0
  Tl  Tl1  2  0.3333  0.6667  0.2725  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  6  0.1703  0.3406  0.6924  1.0
  Cl  Cl5  3  0.0000  0.5000  0.0000  1.0
]