data_LaNbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   146.09
_cell_angle_beta   124.49
_cell_angle_gamma   66.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbOs2
_chemical_formula_sum   'La1 Nb1 Os2'
_cell_volume   75.35
_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  0.59  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.56  0.48  1.0
  Os  Os3  1  0.6  0.0  0.11  1.0

data_LaNbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.12
_cell_length_c   5.5
_cell_angle_alpha   117.76
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbOs2
_chemical_formula_sum   'La1 Nb1 Os2'
_cell_volume   75.35
_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  0.59  0.59  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.11  0.51  1.0
  Os  Os3  1  0.44  0.92  0.92  1.0

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