data_[Mg8Tl4Ag2]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2906]
_cell_length_b [6.3108]
_cell_length_c [8.1091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg4Tl2Ag]
_chemical_formula_sum '[Mg8 Tl4 Ag2]'
_cell_volume [330.9854]
_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  0.4347  0.5019  0.7699  1
  Mg  Mg1  2  0.0339  0.7500  0.4856  1
  Mg  Mg2  2  0.1520  0.7500  0.9144  1
  Tl  Tl3  2  0.1839  0.2500  0.9320  1
  Tl  Tl4  2  0.2988  0.2500  0.3893  1
  Ag  Ag5  2  0.2767  0.7500  0.2974  1
]