data_[Mg4Sc6Cd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9242]
_cell_length_b [22.9842]
_cell_length_c [4.9382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg2Sc3Cd7]
_chemical_formula_sum '[Mg4 Sc6 Cd14]'
_cell_volume [558.8968]
_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
[
  Mg  Mg0  4  0.0000  0.3487  0.5000  1
  Sc  Sc1  4  0.0000  0.1548  0.0000  1
  Sc  Sc2  2  0.0000  0.5000  0.5000  1
  Cd  Cd3  4  0.0000  0.0756  0.5000  1
  Cd  Cd4  4  0.0000  0.2247  0.5000  1
  Cd  Cd5  4  0.0000  0.4207  0.0000  1
  Cd  Cd6  2  0.0000  0.0000  0.0000  1
]