data_[Nd12Cd10Si14]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9721]
_cell_length_b [4.3189]
_cell_length_c [17.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Nd6Cd5Si7]
_chemical_formula_sum '[Nd12 Cd10 Si14]'
_cell_volume [822.3853]
_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  0.0371  0.0000  0.3932  1.0
  Nd  Nd1  2  0.1167  0.5000  0.9373  1.0
  Nd  Nd2  2  0.2298  0.5000  0.7382  1.0
  Nd  Nd3  2  0.2910  0.0000  0.2733  1.0
  Nd  Nd4  2  0.3633  0.0000  0.0499  1.0
  Nd  Nd5  2  0.4761  0.5000  0.6097  1.0
  Cd  Cd6  2  0.0329  0.0000  0.8019  1.0
  Cd  Cd7  2  0.1558  0.5000  0.5325  1.0
  Cd  Cd8  2  0.1852  0.5000  0.1369  1.0
  Cd  Cd9  2  0.3553  0.0000  0.4735  1.0
  Cd  Cd10  2  0.4735  0.5000  0.1922  1.0
  Si  Si11  2  0.0768  0.0000  0.0559  1.0
  Si  Si12  2  0.0778  0.5000  0.2769  1.0
  Si  Si13  2  0.2498  0.5000  0.3890  1.0
  Si  Si14  2  0.2614  0.0000  0.6168  1.0
  Si  Si15  2  0.2840  0.0000  0.8742  1.0
  Si  Si16  2  0.3925  0.5000  0.9250  1.0
  Si  Si17  2  0.4409  0.0000  0.7234  1.0
]