data_[Nd6Cu2Si2]
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 [P-1]
_cell_length_a [4.3202]
_cell_length_b [7.3684]
_cell_length_c [8.6302]
_cell_angle_alpha [92.4542]
_cell_angle_beta [90.3080]
_cell_angle_gamma [106.7379]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3CuSi]
_chemical_formula_sum '[Nd6 Cu2 Si2]'
_cell_volume [262.8017]
_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  0.0537  0.1098  0.3071  1.0
  Nd  Nd1  2  0.2353  0.4671  0.6752  1.0
  Nd  Nd2  2  0.3942  0.7995  0.0842  1.0
  Cu  Cu3  2  0.2119  0.4153  0.0552  1.0
  Si  Si4  2  0.4171  0.8326  0.4430  1.0
]