data_[Ba4Y2Cd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5978]
_cell_length_b [6.8005]
_cell_length_c [17.0744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2YCd10]
_chemical_formula_sum '[Ba4 Y2 Cd20]'
_cell_volume [745.2644]
_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
[
  Ba  Ba0  4  0.2993  0.6146  0.8829  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.0606  0.1518  0.8245  1
  Cd  Cd3  4  0.1571  0.5647  0.0698  1
  Cd  Cd4  4  0.2285  0.1713  0.1711  1
  Cd  Cd5  4  0.3583  0.5549  0.2392  1
  Cd  Cd6  4  0.4859  0.6107  0.5819  1
]