data_Nd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68
_cell_length_b   9.68
_cell_length_c   9.68
_cell_angle_alpha   152.24
_cell_angle_beta   152.24
_cell_angle_gamma   39.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Bi
_chemical_formula_sum   'Nd4 Bi2'
_cell_volume   196.71
_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  0.32  0.0  0.0  1.0
  Nd  Nd1  1  0.0  0.32  0.0  1.0
  Nd  Nd2  1  0.0  0.0  0.96  1.0
  Nd  Nd3  1  0.0  0.0  0.27  1.0
  Bi  Bi4  1  0.0  0.0  0.64  1.0
  Bi  Bi5  1  0.0  0.0  0.58  1.0

data_Nd2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nd2Bi
_chemical_formula_sum   'Nd8 Bi4'
_cell_volume   393.42
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.34  0.34  0.68  1.0
  Nd  Nd1  2  0.27  0.0  0.27  1.0
  Nd  Nd2  2  0.46  0.5  0.96  1.0
  Bi  Bi3  2  0.08  0.5  0.58  1.0
  Bi  Bi4  2  0.14  0.5  0.64  1.0

Nd Nd Nd Nd Bi Bi