data_Pm3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm3Nd
_chemical_formula_sum   'Pm6 Nd2'
_cell_volume   280.77
_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
  Pm  Pm0  1  0.0  0.12  0.52  1.0
  Pm  Pm1  1  0.16  0.3  0.52  1.0
  Pm  Pm2  1  0.84  0.3  0.52  1.0
  Pm  Pm3  1  0.67  0.24  0.51  1.0
  Pm  Pm4  1  0.51  0.06  0.51  1.0
  Pm  Pm5  1  0.83  0.06  0.51  1.0
  Nd  Nd6  1  0.0  0.24  0.51  1.0
  Nd  Nd7  1  0.67  0.12  0.52  1.0

data_Pm3Nd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.02
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pm3Nd
_chemical_formula_sum   'Pm6 Nd2'
_cell_volume   280.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Pm  Pm0  2  0.49  0.17  0.88  1.0
  Pm  Pm1  2  0.49  0.33  0.06  1.0
  Pm  Pm2  2  0.49  0.5  0.88  1.0
  Nd  Nd3  2  0.49  0.67  0.06  1.0

Pm Pm Pm Pm Pm Pm Nd Nd
Pm Pm Pm Pm Pm Pm Nd Nd 0 6 o o o 0 5 - o o 1 6 o o o 2 3 o o o 2 7 o o o 3 7 o o o 4 7 o o o 5 6 + o o 