data_LaMnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.57
_cell_angle_alpha   105.55
_cell_angle_beta   105.55
_cell_angle_gamma   35.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnOs2
_chemical_formula_sum   'La1 Mn1 Os2'
_cell_volume   75.28
_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  0.94  0.0  0.63  1.0
  Mn  Mn1  1  0.56  0.0  0.87  1.0
  Os  Os2  1  0.52  0.0  0.27  1.0
  Os  Os3  1  0.22  0.0  0.6  1.0

data_LaMnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.95
_cell_length_c   5.57
_cell_angle_alpha   105.55
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnOs2
_chemical_formula_sum   'La1 Mn1 Os2'
_cell_volume   75.28
_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  0.06  0.37  1.0
  Mn  Mn1  1  0.0  0.44  0.13  1.0
  Os  Os2  1  0.0  0.48  0.73  1.0
  Os  Os3  1  0.0  0.78  0.4  1.0

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