data_[Sc4Cd6Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2201]
_cell_length_b [20.4101]
_cell_length_c [3.3125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc2Cd3Ga2]
_chemical_formula_sum '[Sc4 Cd6 Ga4]'
_cell_volume [285.3123]
_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  4  0.0000  0.1650  0.0000  1.0
  Cd  Cd1  4  0.0000  0.4238  0.5000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0000  0.2859  0.5000  1.0
]