data_[Mg8Tl4Cu4Cl24]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6378]
_cell_length_b [14.1309]
_cell_length_c [7.1135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2TlCuCl6]
_chemical_formula_sum '[Mg8 Tl4 Cu4 Cl24]'
_cell_volume [1291.1453]
_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  8  0.1870  0.4291  0.1891  1.0
  Tl  Tl1  4  0.0000  0.1032  0.2500  1.0
  Cu  Cu2  4  0.0000  0.2890  0.7500  1.0
  Cl  Cl3  8  0.1155  0.2821  0.0390  1.0
  Cl  Cl4  8  0.1270  0.4416  0.4675  1.0
  Cl  Cl5  8  0.1325  0.0737  0.7060  1.0
]