data_BaPOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   150.79
_cell_angle_beta   121.2
_cell_angle_gamma   66.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPOs2
_chemical_formula_sum   'Ba1 P1 Os2'
_cell_volume   86.43
_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  0.91  0.28  1.0
  P  P3  1  0.0  0.0  0.43  1.0
  Os  Os1  1  0.0  0.0  0.56  1.0
  Os  Os2  1  0.5  0.0  0.63  1.0

data_BaPOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.83
_cell_length_c   5.94
_cell_angle_alpha   119.4
_cell_angle_beta   104.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPOs2
_chemical_formula_sum   'Ba1 P1 Os2'
_cell_volume   86.43
_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  0.09  0.37  0.37  1.0
  P  P1  1  0.0  0.43  0.43  1.0
  Os  Os2  1  0.0  0.56  0.56  1.0
  Os  Os3  1  0.0  0.63  0.13  1.0

Ba P Os Os