data_[Y4Sc4Cd4]
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 [Cm]
_cell_length_a [11.1555]
_cell_length_b [5.0738]
_cell_length_c [6.4446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YScCd]
_chemical_formula_sum '[Y4 Sc4 Cd4]'
_cell_volume [312.6835]
_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  0.0654  0.5000  0.8488  1.0
  Y  Y1  2  0.3543  0.5000  0.4697  1.0
  Sc  Sc2  2  0.2046  0.0000  0.6762  1.0
  Sc  Sc3  2  0.4920  0.0000  0.2819  1.0
  Cd  Cd4  2  0.1829  0.0000  0.1816  1.0
  Cd  Cd5  2  0.3802  0.5000  0.9727  1.0
]