data_[Y8Mg10Tl2]
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 [15.8153]
_cell_length_b [5.2710]
_cell_length_c [6.5857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4Mg5Tl]
_chemical_formula_sum '[Y8 Mg10 Tl2]'
_cell_volume [529.1513]
_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  0.0988  0.0000  0.8931  1
  Y  Y1  4  0.1949  0.5000  0.3065  1
  Mg  Mg2  4  0.0989  0.0000  0.4157  1
  Mg  Mg3  4  0.2012  0.5000  0.8004  1
  Mg  Mg4  2  0.0000  0.5000  0.5000  1
  Tl  Tl5  2  0.0000  0.5000  0.0000  1
]