data_CrBOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBOs
_chemical_formula_sum   'Cr1 B1 Os1'
_cell_volume   33.68
_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
  Cr  Cr1  1  0.89  0.09  0.36  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.19  0.0  1.0

data_CrBOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.79
_cell_length_c   3.79
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBOs
_chemical_formula_sum   'Cr1 B1 Os1'
_cell_volume   33.68
_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
  Cr  Cr0  1  0.36  0.89  0.09  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.19  1.0

Cr B Os
Cr B Os 0 1 + o o 0 2 + o o 1 2 o o o 