data_[Sc1Cd1Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.4021]
_cell_length_b [5.0541]
_cell_length_c [5.9370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ScCdSb2]
_chemical_formula_sum '[Sc1 Cd1 Sb2]'
_cell_volume [98.8422]
_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  0.1671  0.0000  0.4562  1
  Cd  Cd1  1  0.3450  0.5000  0.8114  1
  Sb  Sb2  1  0.5969  0.5000  0.3299  1
  Sb  Sb3  1  0.8911  0.0000  0.9025  1
]