data_LaNb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Os
_chemical_formula_sum   'La1 Nb2 Os1'
_cell_volume   79.2
_cell_formula_units_Z   1
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
  La  La0  1  0.0  0.0  0.62  1.0
  Nb  Nb1  1  0.64  0.0  0.41  1.0
  Nb  Nb2  1  0.0  0.0  0.18  1.0
  Os  Os3  1  0.64  0.0  0.12  1.0

data_LaNb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Os
_chemical_formula_sum   'La1 Nb2 Os1'
_cell_volume   79.2
_cell_formula_units_Z   1
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
  La  La0  1  0.0  0.0  0.62  1.0
  Nb  Nb1  1  0.0  0.0  0.18  1.0
  Nb  Nb2  1  0.64  0.0  0.41  1.0
  Os  Os3  1  0.64  0.0  0.12  1.0

La Nb Nb Os
La Nb Nb Os 0 1 - o o 0 1 o o o 0 0 o + o 0 0 + o o 1 2 o o o 1 2 + o o 1 1 o + o 1 1 + o o 1 3 o o o 2 3 - o o 