data_[Nd2Y1Cd1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1774]
_cell_length_b [5.1774]
_cell_length_c [4.8783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nd2YCdC]
_chemical_formula_sum '[Nd2 Y1 Cd1 C1]'
_cell_volume [130.7663]
_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  2  0.0000  0.5000  0.0000  1
  Y  Y1  1  0.0000  0.0000  0.5000  1
  Cd  Cd2  1  0.5000  0.5000  0.5000  1
  C  C3  1  0.0000  0.0000  0.0000  1
]