data_[Y10Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7605]
_cell_length_b [3.6168]
_cell_length_c [8.2949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y5Tl]
_chemical_formula_sum '[Y10 Tl2]'
_cell_volume [370.0533]
_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  0.0608  0.0000  0.6042  1.0
  Y  Y1  2  0.1754  0.5000  0.3366  1.0
  Y  Y2  2  0.2014  0.5000  0.9456  1.0
  Y  Y3  2  0.3415  0.0000  0.6899  1.0
  Y  Y4  2  0.3938  0.0000  0.2586  1.0
  Tl  Tl5  2  0.4939  0.5000  0.9985  1.0
]