data_[Y9Tl3Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0548]
_cell_length_b [5.0548]
_cell_length_c [24.8651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3TlNi8]
_chemical_formula_sum '[Y9 Tl3 Ni24]'
_cell_volume [550.2179]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0049  1
  Y  Y1  3  0.0000  0.0000  0.4957  1
  Y  Y2  3  0.0000  0.0000  0.6235  1
  Tl  Tl3  3  0.0000  0.0000  0.1277  1
  Ni  Ni4  9  0.0009  0.5004  0.5631  1
  Ni  Ni5  9  0.1682  0.3364  0.3948  1
  Ni  Ni6  3  0.0000  0.0000  0.3120  1
  Ni  Ni7  3  0.0000  0.0000  0.8123  1
]