data_La2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.58
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiOs
_chemical_formula_sum   'La2 Ni1 Os1'
_cell_volume   90.87
_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  0.68  0.79  0.4  1.0
  La  La1  1  0.73  0.79  0.84  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.95  0.0  0.62  1.0

data_La2NiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.58
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiOs
_chemical_formula_sum   'La2 Ni1 Os1'
_cell_volume   90.87
_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  0.68  0.79  0.4  1.0
  La  La1  1  0.73  0.79  0.84  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.95  0.0  0.62  1.0

La La Ni Os
La La Ni Os 0 3 o + o 1 3 o + o 1 2 + + + 