data_[Mg8Tl4In4Cl24]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3499]
_cell_length_b [13.0357]
_cell_length_c [7.3611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2TlInCl6]
_chemical_formula_sum '[Mg8 Tl4 In4 Cl24]'
_cell_volume [1344.2831]
_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  0.2126  0.4083  0.2577  1.0
  Tl  Tl1  4  0.0000  0.3060  0.7500  1.0
  In  In2  4  0.0000  0.0961  0.2500  1.0
  Cl  Cl3  8  0.1215  0.1071  0.6683  1.0
  Cl  Cl4  8  0.1359  0.2570  0.1435  1.0
  Cl  Cl5  8  0.1530  0.4618  0.5265  1.0
]