data_Sr3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15
_cell_length_b   8.15
_cell_length_c   8.15
_cell_angle_alpha   153.82
_cell_angle_beta   140.31
_cell_angle_gamma   48.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Os
_chemical_formula_sum   'Sr3 Os1'
_cell_volume   151.95
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.0  0.77  0.39  1.0
  Sr  Sr3  1  0.85  0.0  0.05  1.0
  Os  Os0  1  0.0  0.0  0.44  1.0

data_Sr3Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.53
_cell_length_c   8.15
_cell_angle_alpha   109.84
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Os
_chemical_formula_sum   'Sr3 Os1'
_cell_volume   151.95
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.61  0.38  0.38  1.0
  Sr  Sr2  1  0.79  0.95  0.79  1.0
  Os  Os3  1  0.56  0.56  0.56  1.0

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