data_Nd3OsO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   68.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3OsO7
_chemical_formula_sum   'Nd6 Os2 O14'
_cell_volume   304.78
_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  0.03  0.57  0.88  1.0
  Nd  Nd2  1  0.89  0.57  0.88  1.0
  Nd  Nd3  1  0.0  0.0  0.77  1.0
  Nd  Nd4  1  0.03  0.43  0.65  1.0
  Nd  Nd5  1  0.89  0.43  0.65  1.0
  Os  Os20  1  0.46  0.0  0.0  1.0
  Os  Os21  1  0.46  0.0  0.77  1.0
  O  O6  1  0.09  0.38  0.31  1.0
  O  O7  1  0.84  0.38  0.31  1.0
  O  O8  1  0.43  0.21  0.88  1.0
  O  O9  1  0.46  0.35  0.88  1.0
  O  O10  1  0.49  0.21  0.88  1.0
  O  O11  1  0.09  0.38  0.45  1.0
  O  O12  1  0.84  0.38  0.45  1.0
  O  O13  1  0.09  0.62  0.08  1.0
  O  O14  1  0.84  0.62  0.08  1.0
  O  O15  1  0.43  0.79  0.65  1.0
  O  O16  1  0.46  0.65  0.65  1.0
  O  O17  1  0.49  0.79  0.65  1.0
  O  O18  1  0.09  0.62  0.22  1.0
  O  O19  1  0.84  0.62  0.22  1.0

data_Nd3OsO7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3OsO7
_chemical_formula_sum   'Nd6 Os2 O14'
_cell_volume   304.78
_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  0.0  0.0  0.23  1.0
  Nd  Nd2  1  0.03  0.57  0.35  1.0
  Nd  Nd3  1  0.03  0.43  0.12  1.0
  Nd  Nd4  1  0.89  0.43  0.12  1.0
  Nd  Nd5  1  0.89  0.57  0.35  1.0
  Os  Os6  1  0.46  0.0  -0.0  1.0
  Os  Os7  1  0.46  0.0  0.23  1.0
  O  O8  1  0.09  0.62  0.55  1.0
  O  O9  1  0.09  0.62  0.69  1.0
  O  O10  1  0.09  0.38  0.78  1.0
  O  O11  1  0.09  0.38  0.92  1.0
  O  O12  1  0.43  0.21  0.35  1.0
  O  O13  1  0.43  0.79  0.12  1.0
  O  O14  1  0.46  0.35  0.35  1.0
  O  O15  1  0.46  0.65  0.12  1.0
  O  O16  1  0.49  0.21  0.35  1.0
  O  O17  1  0.49  0.79  0.12  1.0
  O  O18  1  0.84  0.38  0.78  1.0
  O  O19  1  0.84  0.38  0.92  1.0
  O  O20  1  0.84  0.62  0.55  1.0
  O  O21  1  0.84  0.62  0.69  1.0

Nd Nd Nd Nd Nd Nd Os Os O O O O O O O O O O O O O O