data_ReB2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   2.84
_cell_angle_alpha   108.12
_cell_angle_beta   108.12
_cell_angle_gamma   93.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB2Os
_chemical_formula_sum   'Re1 B2 Os1'
_cell_volume   44.92
_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
  Re  Re3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.79  0.46  0.26  1.0
  B  B1  1  0.79  0.54  0.26  1.0
  Os  Os2  1  0.88  0.0  0.0  1.0

data_ReB2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   93.98
_cell_angle_beta   108.12
_cell_angle_gamma   108.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB2Os
_chemical_formula_sum   'Re1 B2 Os1'
_cell_volume   44.92
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.26  0.79  0.46  1.0
  B  B2  1  0.26  0.79  0.54  1.0
  Os  Os3  1  0.0  0.88  0.0  1.0

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