data_[Y6Tl6Pd6]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.7763]
_cell_length_b [3.7352]
_cell_length_c [8.0375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [YTlPd]
_chemical_formula_sum '[Y6 Tl6 Pd6]'
_cell_volume [413.5811]
_cell_formula_units_Z [6]
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  0.0494  0.0000  0.7772  1.0
  Y  Y1  2  0.2500  0.0000  0.1632  1.0
  Tl  Tl2  4  0.1105  0.5000  0.4272  1.0
  Tl  Tl3  2  0.2500  0.5000  0.8232  1.0
  Pd  Pd4  4  0.0936  0.5000  0.0662  1.0
  Pd  Pd5  2  0.2500  0.0000  0.5556  1.0
]