data_[Mn2Tl1Hg1Cl8]
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
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5224]
_cell_length_b [6.5704]
_cell_length_c [9.2797]
_cell_angle_alpha [73.6069]
_cell_angle_beta [76.7644]
_cell_angle_gamma [72.3935]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2TlHgCl8]
_chemical_formula_sum '[Mn2 Tl1 Hg1 Cl8]'
_cell_volume [359.1347]
_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  0.4275  0.4313  0.7073  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0943  0.3451  0.8573  1.0
  Cl  Cl4  2  0.2834  0.4484  0.4759  1.0
  Cl  Cl5  2  0.2961  0.7727  0.7662  1.0
  Cl  Cl6  2  0.3435  0.8987  0.1952  1.0
]