data_LaNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNiOs2
_chemical_formula_sum   'La1 Ni1 Os2'
_cell_volume   68.09
_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  0.48  0.48  0.97  1.0
  Ni  Ni1  1  0.0  0.0  0.18  1.0
  Os  Os2  1  0.48  0.48  0.71  1.0
  Os  Os3  1  0.0  0.0  0.52  1.0

data_LaNiOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNiOs2
_chemical_formula_sum   'La2 Ni2 Os4'
_cell_volume   136.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.48  0.0  0.97  1.0
  Ni  Ni1  2  0.0  0.0  0.18  1.0
  Os  Os2  2  0.0  0.0  0.52  1.0
  Os  Os3  2  0.48  0.0  0.71  1.0

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