data_SrFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   25.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Os
_chemical_formula_sum   'Sr1 Fe2 Os1'
_cell_volume   70.88
_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  Sr3  1  0.0  0.0  0.3  1.0
  Fe  Fe0  1  0.93  0.0  0.98  1.0
  Fe  Fe1  1  0.0  0.0  0.06  1.0
  Os  Os2  1  0.93  0.0  0.4  1.0

data_SrFe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.86
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   102.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Os
_chemical_formula_sum   'Sr1 Fe2 Os1'
_cell_volume   70.88
_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  0.7  0.0  0.7  1.0
  Fe  Fe1  1  0.02  0.93  0.02  1.0
  Fe  Fe2  1  0.94  0.0  0.94  1.0
  Os  Os3  1  0.6  0.93  0.6  1.0

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