data_[Y6Mg4Tl8]
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 [C2/m]
_cell_length_a [11.5993]
_cell_length_b [4.9125]
_cell_length_c [9.3822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(MgTl2)2]
_chemical_formula_sum '[Y6 Mg4 Tl8]'
_cell_volume [473.6984]
_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  4  0.1469  0.5000  0.6832  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.1554  0.5000  0.3300  1
  Tl  Tl3  4  0.0537  0.0000  0.3765  1
  Tl  Tl4  4  0.1915  0.5000  0.0467  1
]