data_NdSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74
_cell_length_b   7.74
_cell_length_c   7.74
_cell_angle_alpha   148.76
_cell_angle_beta   148.76
_cell_angle_gamma   44.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSi2
_chemical_formula_sum   'Nd2 Si4'
_cell_volume   124.54
_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  1  0.0  0.09  0.58  1.0
  Nd  Nd1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.09  0.0  0.78  1.0
  Si  Si3  1  0.0  0.0  0.96  1.0
  Si  Si4  1  0.09  0.0  0.38  1.0
  Si  Si5  1  0.0  0.0  0.36  1.0

data_NdSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   7.74
_cell_angle_alpha   105.62
_cell_angle_beta   105.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSi2
_chemical_formula_sum   'Nd2 Si4'
_cell_volume   124.54
_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  1  0.0  0.0  0.0  1.0
  Nd  Nd1  1  0.5  0.09  0.5  1.0
  Si  Si2  1  0.04  0.0  0.04  1.0
  Si  Si3  1  0.22  0.0  0.3  1.0
  Si  Si4  1  0.62  0.0  0.71  1.0
  Si  Si5  1  0.64  0.0  0.64  1.0

Nd Nd Si Si Si Si
Nd Nd Si Si Si Si 0 5 o o o 0 2 o o o 1 3 o o - 2 3 o o o 4 5 o o o 