data_[Nd8Cu4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9180]
_cell_length_b [4.2093]
_cell_length_c [10.6936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2CuSi2]
_chemical_formula_sum '[Nd8 Cu4 Si8]'
_cell_volume [434.7735]
_cell_formula_units_Z [4]
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  0.1066  0.0000  0.9044  1.0
  Nd  Nd1  4  0.2112  0.5000  0.6489  1.0
  Si  Si2  4  0.0360  0.0000  0.4108  1.0
  Cu  Cu3  4  0.0609  0.5000  0.3157  1.0
  Si  Si4  4  0.1098  0.5000  0.1126  1.0
]