data_[Mn2Tl2Cu2Cl12]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0466]
_cell_length_b [10.3915]
_cell_length_c [6.9916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnTlCuCl6]
_chemical_formula_sum '[Mn2 Tl2 Cu2 Cl12]'
_cell_volume [508.7933]
_cell_formula_units_Z [2]
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  0.0000  0.3315  0.0000  1.0
  Tl  Tl1  2  0.0000  0.9798  0.5000  1.0
  Cu  Cu2  2  0.0000  0.6719  0.0000  1.0
  Cl  Cl3  4  0.1061  0.4995  0.2044  1.0
  Cl  Cl4  4  0.1460  0.1926  0.2105  1.0
  Cl  Cl5  4  0.1783  0.8146  0.1857  1.0
]