data_[Nd2Cd8Cu2]
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 [Pmma]
_cell_length_a [8.2955]
_cell_length_b [4.2546]
_cell_length_c [7.5483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdCd4Cu]
_chemical_formula_sum '[Nd2 Cd8 Cu2]'
_cell_volume [266.4115]
_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  0.2500  0.0000  0.3909  1.0
  Cd  Cd1  4  0.0589  0.5000  0.6867  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  2  0.2500  0.5000  0.0612  1.0
  Cu  Cu4  2  0.2500  0.0000  0.7857  1.0
]