data_[Y2Mg10Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1606]
_cell_length_b [15.8720]
_cell_length_c [7.3607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [YMg5Tl6]
_chemical_formula_sum '[Y2 Mg10 Tl12]'
_cell_volume [602.9087]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0000  0.3263  0.5000  1
  Mg  Mg2  4  0.0000  0.3369  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Tl  Tl4  8  0.0000  0.1679  0.2521  1
  Tl  Tl5  4  0.0000  0.5000  0.2689  1
]