data_[Nd4Cd6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4745]
_cell_length_b [4.4271]
_cell_length_c [7.0441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Cd3Cu2]
_chemical_formula_sum '[Nd4 Cd6 Cu4]'
_cell_volume [321.2963]
_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  4  0.1365  0.5000  0.7651  1
  Cd  Cd1  4  0.1689  0.5000  0.2932  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  Cu  Cu3  4  0.0760  0.0000  0.4209  1
]