data_[Mg8Tl4Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3269]
_cell_length_b [7.8424]
_cell_length_c [8.0209]
_cell_angle_alpha [111.0680]
_cell_angle_beta [105.6249]
_cell_angle_gamma [108.6569]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg4Tl2Bi]
_chemical_formula_sum '[Mg8 Tl4 Bi2]'
_cell_volume [366.9614]
_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  1  0.1891  0.4364  0.3834  1
  Mg  Mg1  1  0.3385  0.2629  0.0033  1
  Mg  Mg2  1  0.4948  0.5932  0.8455  1
  Mg  Mg3  1  0.6032  0.0291  0.1945  1
  Mg  Mg4  1  0.6433  0.8257  0.5116  1
  Mg  Mg5  1  0.7729  0.3478  0.9323  1
  Mg  Mg6  1  0.9777  0.6604  0.7999  1
  Mg  Mg7  1  0.9864  0.8499  0.2702  1
  Tl  Tl8  1  0.0066  0.2347  0.6259  1
  Tl  Tl9  1  0.2626  0.6431  0.1275  1
  Tl  Tl10  1  0.3445  0.8896  0.7102  1
  Tl  Tl11  1  0.4492  0.2091  0.5127  1
  Bi  Bi12  1  0.7846  0.4984  0.3562  1
  Bi  Bi13  1  0.8966  0.0195  0.9769  1
]