data_Ba2VOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   131.84
_cell_angle_beta   131.84
_cell_angle_gamma   70.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VOs
_chemical_formula_sum   'Ba2 V1 Os1'
_cell_volume   106.97
_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  0.37  0.0  0.38  1.0
  Ba  Ba1  1  0.0  0.0  0.75  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.37  0.38  1.0

data_Ba2VOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.82
_cell_angle_alpha   114.08
_cell_angle_beta   114.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VOs
_chemical_formula_sum   'Ba2 V1 Os1'
_cell_volume   106.97
_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  0.38  0.0  0.0  1.0
  Ba  Ba1  1  0.75  0.75  0.75  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.38  0.0  1.0

Ba Ba V Os