data_[Y4Tl4Cd4]
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 [Cm]
_cell_length_a [10.5044]
_cell_length_b [4.7963]
_cell_length_c [6.5126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YTlCd]
_chemical_formula_sum '[Y4 Tl4 Cd4]'
_cell_volume [315.7863]
_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  2  0.1166  0.5000  0.5415  1
  Y  Y1  2  0.2983  0.0000  0.9413  1
  Tl  Tl2  2  0.2953  0.0000  0.4420  1
  Tl  Tl3  2  0.4608  0.5000  0.2307  1
  Cd  Cd4  2  0.1178  0.5000  0.0343  1
  Cd  Cd5  2  0.4618  0.5000  0.7423  1
]