data_[Y3Tl3Cd51]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.1697]
_cell_length_b [10.1697]
_cell_length_c [15.1168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [YTlCd17]
_chemical_formula_sum '[Y3 Tl3 Cd51]'
_cell_volume [1353.9642]
_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  0.6712  1
  Tl  Tl1  3  0.0000  0.0000  0.3483  1
  Cd  Cd2  18  0.0318  0.3637  0.6663  1
  Cd  Cd3  9  0.1770  0.3540  0.4771  1
  Cd  Cd4  9  0.1788  0.8212  0.8374  1
  Cd  Cd5  9  0.1934  0.3867  0.1840  1
  Cd  Cd6  3  0.0000  0.0000  0.0923  1
  Cd  Cd7  3  0.0000  0.0000  0.8949  1
]