data_LaB2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaB2Os
_chemical_formula_sum   'La1 B2 Os1'
_cell_volume   59.41
_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  La2  1  0.0  0.0  0.95  1.0
  B  B0  1  0.0  0.0  0.8  1.0
  B  B1  1  0.56  0.0  0.15  1.0
  Os  Os3  1  0.56  0.0  0.07  1.0

data_LaB2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.07
_cell_length_b   5.38
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaB2Os
_chemical_formula_sum   'La2 B4 Os2'
_cell_volume   118.85
_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  0.0  0.0  0.95  1.0
  B  B1  2  0.0  0.0  0.8  1.0
  B  B2  2  0.06  0.5  0.15  1.0
  Os  Os3  2  0.06  0.5  0.07  1.0

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