data_[Nd4Al2Cd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8255]
_cell_length_b [3.7519]
_cell_length_c [10.0306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Al2Cd5]
_chemical_formula_sum '[Nd4 Al2 Cd5]'
_cell_volume [293.4364]
_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  0.1684  0.5000  0.8754  1.0
  Nd  Nd1  2  0.2645  0.5000  0.4401  1.0
  Al  Al2  2  0.0573  0.0000  0.6279  1.0
  Cd  Cd3  2  0.1879  0.0000  0.1626  1.0
  Cd  Cd4  2  0.4321  0.0000  0.7021  1.0
  Cd  Cd5  1  0.5000  0.0000  0.0000  1.0
]