data_BaReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   153.1
_cell_angle_beta   153.1
_cell_angle_gamma   38.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReOs
_chemical_formula_sum   'Ba1 Re1 Os1'
_cell_volume   68.36
_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
  Ba  Ba0  1  0.0  0.0  0.11  1.0
  Re  Re2  1  0.0  0.0  0.28  1.0
  Os  Os1  1  0.0  0.0  0.84  1.0

data_BaReOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaReOs
_chemical_formula_sum   'Ba2 Re2 Os2'
_cell_volume   136.72
_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
  Ba  Ba0  2  0.11  0.0  0.11  1.0
  Re  Re1  2  0.28  0.0  0.28  1.0
  Os  Os2  2  0.34  0.5  0.84  1.0

Ba Re Os
Ba Re Os 0 1 o o o 0 2 o o - 