data_[Mn2Tl2Cu2Cl8]
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 [P2_1/m]
_cell_length_a [6.1530]
_cell_length_b [7.0544]
_cell_length_c [8.6770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlCuCl4]
_chemical_formula_sum '[Mn2 Tl2 Cu2 Cl8]'
_cell_volume [367.4308]
_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  0.2319  0.7500  0.3377  1.0
  Tl  Tl1  2  0.2378  0.2500  0.0515  1.0
  Cu  Cu2  2  0.1212  0.2500  0.5092  1.0
  Cl  Cl3  4  0.0493  0.0053  0.6964  1.0
  Cl  Cl4  2  0.3241  0.7500  0.0879  1.0
  Cl  Cl5  2  0.4677  0.2500  0.4446  1.0
]