data_SrAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   136.42
_cell_angle_beta   136.42
_cell_angle_gamma   63.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAs2Os
_chemical_formula_sum   'Sr1 As2 Os1'
_cell_volume   80.54
_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  0.73  1.0
  As  As0  1  0.0  0.06  0.37  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.06  0.0  0.37  1.0

data_SrAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.56
_cell_angle_alpha   111.79
_cell_angle_beta   111.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAs2Os
_chemical_formula_sum   'Sr1 As2 Os1'
_cell_volume   80.54
_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  0.27  0.0  0.27  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.7  0.06  0.7  1.0
  Os  Os3  1  0.63  0.0  0.7  1.0

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