data_[Mn4Tl8Ag4Cl20]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0062]
_cell_length_b [19.2342]
_cell_length_c [13.2691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnTl2AgCl5]
_chemical_formula_sum '[Mn4 Tl8 Ag4 Cl20]'
_cell_volume [1022.4731]
_cell_formula_units_Z [4]
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  0.2166  0.0209  1.0
  Tl  Tl1  4  0.0000  0.1154  0.6878  1.0
  Tl  Tl2  4  0.0000  0.1303  0.3055  1.0
  Ag  Ag3  4  0.0000  0.4425  0.4357  1.0
  Cl  Cl4  4  0.0000  0.0864  0.0520  1.0
  Cl  Cl5  4  0.0000  0.2777  0.6500  1.0
  Cl  Cl6  4  0.0000  0.2961  0.3923  1.0
  Cl  Cl7  4  0.0000  0.3450  0.0068  1.0
  Cl  Cl8  4  0.0000  0.4961  0.7730  1.0
]