data_BAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Os
_chemical_formula_sum   'B1 As2 Os1'
_cell_volume   62.75
_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
  B  B2  1  0.0  0.0  0.23  1.0
  As  As0  1  0.0  0.0  0.98  1.0
  As  As1  1  0.44  0.44  0.55  1.0
  Os  Os3  1  0.44  0.44  0.08  1.0

data_BAs2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BAs2Os
_chemical_formula_sum   'B2 As4 Os2'
_cell_volume   125.5
_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
  B  B0  2  0.0  0.0  0.23  1.0
  As  As1  2  0.0  0.0  0.98  1.0
  As  As2  2  0.44  0.0  0.55  1.0
  Os  Os3  2  0.44  0.0  0.08  1.0

B As As Os
B As As Os 0 3 - o o 0 3 o - o 0 3 o o o 0 3 - - o 0 1 o o - 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 - o + 1 3 o - + 1 3 o o + 1 3 - - + 2 2 + o o 2 2 o + o 2 3 o o o 