data_SrTa2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   150.87
_cell_angle_beta   128.96
_cell_angle_gamma   59.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Os
_chemical_formula_sum   'Sr1 Ta2 Os1'
_cell_volume   85.91
_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
  Ta  Ta2  1  0.54  0.0  0.16  1.0
  Ta  Ta3  1  0.0  0.63  0.14  1.0
  Os  Os0  1  0.0  0.0  0.3  1.0

data_SrTa2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.27
_cell_length_c   6.12
_cell_angle_alpha   115.52
_cell_angle_beta   104.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Os
_chemical_formula_sum   'Sr1 Ta2 Os1'
_cell_volume   85.91
_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
  Ta  Ta1  1  0.0  0.16  0.62  1.0
  Ta  Ta2  1  0.37  0.51  0.51  1.0
  Os  Os3  1  0.0  0.3  0.3  1.0

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