data_NdOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdOs3
_chemical_formula_sum   'Nd2 Os6'
_cell_volume   145.58
_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  0.04  0.75  0.41  1.0
  Nd  Nd1  1  0.0  0.51  0.14  1.0
  Os  Os2  1  0.04  0.75  0.14  1.0
  Os  Os3  1  0.27  0.51  0.41  1.0
  Os  Os4  1  0.73  0.51  0.41  1.0
  Os  Os5  1  0.0  0.52  0.41  1.0
  Os  Os6  1  0.76  0.76  0.14  1.0
  Os  Os7  1  0.31  0.76  0.14  1.0

data_NdOs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.55
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdOs3
_chemical_formula_sum   'Nd2 Os6'
_cell_volume   145.58
_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  0.14  0.02  0.62  1.0
  Os  Os1  2  0.14  0.25  0.37  1.0
  Os  Os2  2  0.14  0.71  0.37  1.0
  Os  Os3  2  0.14  0.98  0.38  1.0

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