data_[Y16Tl8In4]
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 [Cc]
_cell_length_a [9.1934]
_cell_length_b [14.2869]
_cell_length_c [6.9526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Y4Tl2In]
_chemical_formula_sum '[Y16 Tl8 In4]'
_cell_volume [815.7971]
_cell_formula_units_Z [4]
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  0.0420  0.3097  0.2810  1.0
  Y  Y1  4  0.2183  0.3186  0.8673  1.0
  Y  Y2  4  0.2852  0.0959  0.1548  1.0
  Y  Y3  4  0.4242  0.4714  0.6611  1.0
  Tl  Tl4  4  0.0655  0.4991  0.5703  1.0
  Tl  Tl5  4  0.4316  0.3075  0.3630  1.0
  In  In6  4  0.1552  0.1255  0.6023  1.0
]