data_[Mn1Tl1Cd2Cl8]
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
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2464]
_cell_length_b [6.4410]
_cell_length_c [9.0097]
_cell_angle_alpha [76.6526]
_cell_angle_beta [82.6305]
_cell_angle_gamma [77.0643]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnTl(CdCl4)2]
_chemical_formula_sum '[Mn1 Tl1 Cd2 Cl8]'
_cell_volume [342.6244]
_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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  2  0.4247  0.4305  0.7334  1.0
  Cl  Cl3  2  0.1621  0.7481  0.2062  1.0
  Cl  Cl4  2  0.2514  0.2117  0.9916  1.0
  Cl  Cl5  2  0.2618  0.7936  0.8006  1.0
  Cl  Cl6  2  0.3345  0.3156  0.5076  1.0
]