data_[Mg10Tl2Ag12]
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 [Immm]
_cell_length_a [4.6655]
_cell_length_b [7.0772]
_cell_length_c [13.8866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg5TlAg6]
_chemical_formula_sum '[Mg10 Tl2 Ag12]'
_cell_volume [458.5196]
_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  0.0000  0.0000  0.3296  1
  Mg  Mg1  4  0.0000  0.5000  0.3399  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Ag  Ag4  8  0.0000  0.2644  0.1731  1
  Ag  Ag5  4  0.0000  0.2250  0.5000  1
]