data_[Nd1Sc1Cd4]
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 [Pmmm]
_cell_length_a [3.3064]
_cell_length_b [5.0054]
_cell_length_c [8.7330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [NdScCd4]
_chemical_formula_sum '[Nd1 Sc1 Cd4]'
_cell_volume [144.5284]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  1  0.0000  0.5000  0.0000  1.0
  Cd  Cd2  2  0.5000  0.0000  0.1584  1.0
  Cd  Cd3  2  0.5000  0.5000  0.3222  1.0
]