data_[Nd4Cd5Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8127]
_cell_length_b [3.7523]
_cell_length_c [9.5552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Cd5Ni2]
_chemical_formula_sum '[Nd4 Cd5 Ni2]'
_cell_volume [279.4047]
_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  0.1657  0.5000  0.8469  1.0
  Nd  Nd1  2  0.2242  0.5000  0.4444  1.0
  Cd  Cd2  2  0.1843  0.0000  0.1516  1.0
  Cd  Cd3  2  0.4479  0.0000  0.6819  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni5  2  0.0644  0.0000  0.6290  1.0
]