data_[Mg20Tl4Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4171]
_cell_length_b [12.3471]
_cell_length_c [7.2713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg5TlZn]
_chemical_formula_sum '[Mg20 Tl4 Zn4]'
_cell_volume [660.9951]
_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  0.1402  0.3859  0.1630  1
  Mg  Mg1  8  0.2269  0.1502  0.3519  1
  Mg  Mg2  4  0.0000  0.2156  0.7500  1
  Tl  Tl3  4  0.0000  0.0000  0.0000  1
  Zn  Zn4  4  0.0000  0.4356  0.7500  1
]