data_[Y16Tl4Rh2]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9665]
_cell_length_b [5.2354]
_cell_length_c [6.7687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Tl2Rh]
_chemical_formula_sum '[Y16 Tl4 Rh2]'
_cell_volume [628.8242]
_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  4  0.0188  0.0000  0.2481  1
  Y  Y1  4  0.0899  0.5000  0.7404  1
  Y  Y2  4  0.1489  0.5000  0.3110  1
  Y  Y3  4  0.2087  0.0000  0.0936  1
  Tl  Tl4  4  0.1747  0.0000  0.6121  1
  Rh  Rh5  2  0.0000  0.5000  0.0000  1
]