data_[Mg2Tl4Cu4Cl12]
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/m]
_cell_length_a [12.8898]
_cell_length_b [7.0916]
_cell_length_c [7.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgTl2(CuCl3)2]
_chemical_formula_sum '[Mg2 Tl4 Cu4 Cl12]'
_cell_volume [568.8275]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.5000  1
  Tl  Tl1  4  0.2438  0.5000  0.2160  1
  Cu  Cu2  4  0.0825  0.0000  0.2865  1
  Cl  Cl3  8  0.0368  0.2567  0.7700  1
  Cl  Cl4  4  0.2385  0.5000  0.6884  1
]