data_[Mn4Tl4Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4578]
_cell_length_b [5.1662]
_cell_length_c [7.8056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Tl2Cl5]
_chemical_formula_sum '[Mn4 Tl4 Cl10]'
_cell_volume [501.9642]
_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  4  0.1817  0.0000  0.1369  1
  Tl  Tl1  4  0.0991  0.5000  0.6526  1
  Cl  Cl2  4  0.1416  0.0000  0.4276  1
  Cl  Cl3  4  0.2123  0.5000  0.1223  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
]