data_[Mn4Tl6Cl14]
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 [Cmmm]
_cell_length_a [5.1291]
_cell_length_b [25.6929]
_cell_length_c [5.0138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mn2Tl3Cl7]
_chemical_formula_sum '[Mn4 Tl6 Cl14]'
_cell_volume [660.7205]
_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  0.0000  0.1012  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3171  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  4  0.0000  0.0973  0.5000  1.0
  Cl  Cl4  4  0.0000  0.1959  0.0000  1.0
  Cl  Cl5  4  0.0000  0.4030  0.0000  1.0
  Cl  Cl6  2  0.0000  0.0000  0.0000  1.0
]