data_[Mg8Tl14In2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6283]
_cell_length_b [4.6770]
_cell_length_c [13.5315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg4Tl7In]
_chemical_formula_sum '[Mg8 Tl14 In2]'
_cell_volume [645.3240]
_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  4  0.1598  0.5000  0.9157  1
  Mg  Mg1  4  0.1623  0.5000  0.6671  1
  Tl  Tl2  4  0.0068  0.0000  0.2511  1
  Tl  Tl3  4  0.1709  0.5000  0.4157  1
  Tl  Tl4  4  0.1835  0.5000  0.1603  1
  Tl  Tl5  2  0.0000  0.0000  0.0000  1
  In  In6  2  0.0000  0.0000  0.5000  1
]