data_[Y2Sc10Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0341]
_cell_length_b [7.2070]
_cell_length_c [15.1146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [YSc5Cd6]
_chemical_formula_sum '[Y2 Sc10 Cd12]'
_cell_volume [548.3681]
_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  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.0000  0.3317  1
  Sc  Sc2  4  0.0000  0.5000  0.3358  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Cd  Cd4  8  0.0000  0.2581  0.8295  1
  Cd  Cd5  4  0.0000  0.2341  0.5000  1
]