data_[Sc4Cd12In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7730]
_cell_length_b [31.6613]
_cell_length_c [3.1866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ScCd3In]
_chemical_formula_sum '[Sc4 Cd12 In4]'
_cell_volume [481.5531]
_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
[
  Sc  Sc0  4  0.0000  0.1783  0.5000  1
  Cd  Cd1  4  0.0000  0.0815  0.0000  1
  Cd  Cd2  4  0.0000  0.2713  0.0000  1
  Cd  Cd3  4  0.0000  0.4544  0.5000  1
  In  In4  4  0.0000  0.3616  0.0000  1
]