data_[Sc1Zn10Cd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2702]
_cell_length_b [5.1726]
_cell_length_c [9.0439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [ScZn10Cd]
_chemical_formula_sum '[Sc1 Zn10 Cd1]'
_cell_volume [199.7604]
_cell_formula_units_Z [1]
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
[
  Sc  Sc0  1  0.0000  0.5000  0.5000  1
  Zn  Zn1  4  0.5000  0.2599  0.2641  1
  Zn  Zn2  2  0.0000  0.0000  0.3258  1
  Zn  Zn3  2  0.0000  0.5000  0.1655  1
  Zn  Zn4  1  0.5000  0.0000  0.5000  1
  Zn  Zn5  1  0.5000  0.5000  0.0000  1
  Cd  Cd6  1  0.0000  0.0000  0.0000  1
]