data_[Y6Tl2]
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 [P2_1/m]
_cell_length_a [6.7473]
_cell_length_b [5.3144]
_cell_length_c [6.8599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3Tl]
_chemical_formula_sum '[Y6 Tl2]'
_cell_volume [240.3498]
_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  0.0876  0.7500  0.4019  1.0
  Y  Y1  2  0.1724  0.7500  0.9226  1.0
  Y  Y2  2  0.3662  0.2500  0.2696  1.0
  Tl  Tl3  2  0.3845  0.2500  0.7485  1.0
]