data_SrB2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.56
_cell_angle_alpha   94.56
_cell_angle_beta   94.56
_cell_angle_gamma   52.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB2Os
_chemical_formula_sum   'Sr1 B2 Os1'
_cell_volume   66.27
_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
  Sr  Sr3  1  0.17  0.0  0.21  1.0
  B  B0  1  0.55  0.0  0.54  1.0
  B  B1  1  0.54  0.0  0.94  1.0
  Os  Os2  1  0.47  0.0  0.61  1.0

data_SrB2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.89
_cell_length_c   5.56
_cell_angle_alpha   94.56
_cell_angle_beta   90.0
_cell_angle_gamma   116.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB2Os
_chemical_formula_sum   'Sr1 B2 Os1'
_cell_volume   66.27
_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
  Sr  Sr0  1  0.0  0.83  0.79  1.0
  B  B1  1  0.0  0.45  0.46  1.0
  B  B2  1  0.0  0.46  0.06  1.0
  Os  Os3  1  0.0  0.53  0.39  1.0

Sr B B Os
Sr B B Os 0 2 o o - 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 