data_LaBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   144.68
_cell_angle_beta   117.83
_cell_angle_gamma   73.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBOs2
_chemical_formula_sum   'La1 B1 Os2'
_cell_volume   70.22
_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  0.58  0.0  0.31  1.0
  B  B0  1  0.0  0.0  0.61  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.68  0.71  1.0

data_LaBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   62.17
_cell_angle_beta   72.34
_cell_angle_gamma   72.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBOs2
_chemical_formula_sum   'La1 B1 Os2'
_cell_volume   70.22
_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  0.42  0.31  1.0
  B  B1  1  0.0  0.0  0.61  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.68  0.0  0.02  1.0

La B Os Os