data_[Mg14Tl10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9100]
_cell_length_b [5.1374]
_cell_length_c [13.3918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg7Tl5]
_chemical_formula_sum '[Mg14 Tl10]'
_cell_volume [608.5220]
_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  0.0743  0.0000  0.2161  1.0
  Mg  Mg1  4  0.1931  0.5000  0.0804  1.0
  Mg  Mg2  4  0.2314  0.0000  0.6712  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl4  4  0.0964  0.5000  0.7964  1.0
  Tl  Tl5  4  0.1507  0.0000  0.4344  1.0
  Tl  Tl6  2  0.0000  0.0000  0.0000  1.0
]