data_[Sc2Cd6As6]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3551]
_cell_length_b [8.9752]
_cell_length_c [17.8927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc(CdAs)3]
_chemical_formula_sum '[Sc2 Cd6 As6]'
_cell_volume [1502.3453]
_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
[
  Sc  Sc0  2  0.1955  0.5000  0.4661  1
  Cd  Cd1  4  0.4236  0.7392  0.4947  1
  Cd  Cd2  2  0.1689  0.0000  0.5111  1
  As  As3  4  0.1706  0.2798  0.5649  1
  As  As4  2  0.4442  0.5000  0.4032  1
]