data_NdCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCl3
_chemical_formula_sum   'Nd2 Cl6'
_cell_volume   203.96
_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  Nd6  1  0.0  0.29  0.07  1.0
  Nd  Nd7  1  0.72  0.15  0.2  1.0
  Cl  Cl0  1  0.87  0.55  0.07  1.0
  Cl  Cl1  1  0.76  0.94  0.07  1.0
  Cl  Cl2  1  0.52  0.94  0.07  1.0
  Cl  Cl3  1  0.2  0.49  0.2  1.0
  Cl  Cl4  1  0.96  0.5  0.2  1.0
  Cl  Cl5  1  0.84  0.88  0.2  1.0

data_NdCl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.26
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdCl3
_chemical_formula_sum   'Nd2 Cl6'
_cell_volume   203.96
_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
  Nd  Nd0  2  0.07  0.36  0.93  1.0
  Cl  Cl1  2  0.07  0.49  0.66  1.0
  Cl  Cl2  2  0.07  0.6  0.28  1.0
  Cl  Cl3  2  0.07  0.84  0.28  1.0

Nd Nd Cl Cl Cl Cl Cl Cl