data_BaSr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   5.79
_cell_angle_alpha   111.1
_cell_angle_beta   111.1
_cell_angle_gamma   28.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Os
_chemical_formula_sum   'Ba1 Sr2 Os1'
_cell_volume   155.53
_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  0.0  1.0
  Sr  Sr2  1  0.1  0.0  0.57  1.0
  Sr  Sr3  1  0.97  0.0  0.81  1.0
  Os  Os1  1  0.53  0.0  0.69  1.0

data_BaSr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   5.79
_cell_length_c   7.84
_cell_angle_alpha   111.1
_cell_angle_beta   104.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Os
_chemical_formula_sum   'Ba1 Sr2 Os1'
_cell_volume   155.53
_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  0.0  1.0
  Sr  Sr1  1  0.0  0.57  0.1  1.0
  Sr  Sr2  1  0.0  0.81  0.97  1.0
  Os  Os3  1  0.0  0.69  0.53  1.0

Ba Sr Sr Os
Ba Sr Sr Os 0 2 - o - 0 3 - o - 1 2 - o o 1 3 o o o 2 3 o o o 3 3 + - o 