data_[Mg4Tl4Zn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8157]
_cell_length_b [11.6090]
_cell_length_c [9.2732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgTlZnCl5]
_chemical_formula_sum '[Mg4 Tl4 Zn4 Cl20]'
_cell_volume [873.6021]
_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
[
  Mg  Mg0  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3387  0.2500  1.0
  Zn  Zn2  4  0.0000  0.3122  0.7500  1.0
  Cl  Cl3  8  0.1060  0.2019  0.6052  1.0
  Cl  Cl4  8  0.1948  0.4285  0.9308  1.0
  Cl  Cl5  4  0.0000  0.0664  0.2500  1.0
]