data_[Y10Tl2In6]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.3097]
_cell_length_b [9.3097]
_cell_length_c [6.6836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Y5TlIn3]
_chemical_formula_sum '[Y10 Tl2 In6]'
_cell_volume [501.6672]
_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  6  0.0000  0.2898  0.7500  1
  Y  Y1  4  0.3333  0.6667  0.5000  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  In  In3  6  0.0000  0.3733  0.2500  1
]