data_[Nd2Sc2Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8555]
_cell_length_b [7.2218]
_cell_length_c [10.8678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdScCd6]
_chemical_formula_sum '[Nd2 Sc2 Cd12]'
_cell_volume [381.0809]
_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
[
  Nd  Nd0  2  0.5000  0.0000  0.6157  1.0
  Sc  Sc1  2  0.0000  0.0000  0.8861  1.0
  Cd  Cd2  4  0.0000  0.2142  0.1575  1.0
  Cd  Cd3  4  0.5000  0.2209  0.3469  1.0
  Cd  Cd4  2  0.0000  0.0000  0.4214  1.0
  Cd  Cd5  2  0.5000  0.0000  0.0683  1.0
]