data_LaBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.97
_cell_angle_alpha   106.07
_cell_angle_beta   106.07
_cell_angle_gamma   114.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBOs2
_chemical_formula_sum   'La1 B1 Os2'
_cell_volume   65.05
_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  La1  1  0.86  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.43  0.77  0.0  1.0
  Os  Os3  1  0.43  0.23  0.0  1.0

data_LaBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.92
_cell_length_c   5.3
_cell_angle_alpha   117.53
_cell_angle_beta   106.07
_cell_angle_gamma   90.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBOs2
_chemical_formula_sum   'La1 B1 Os2'
_cell_volume   65.05
_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  0.86  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.23  0.23  0.66  1.0
  Os  Os3  1  0.77  0.77  0.2  1.0

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