data_SrTa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Sb
_chemical_formula_sum   'Sr1 Ta2 Sb1'
_cell_volume   92.23
_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  0.49  0.51  1.0
  Ta  Ta3  1  0.54  0.51  0.51  1.0
  Sb  Sb0  1  0.07  0.0  0.0  1.0

data_SrTa2Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.85
_cell_length_b   3.01
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   116.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrTa2Sb
_chemical_formula_sum   'Sr1 Ta2 Sb1'
_cell_volume   92.23
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.54  0.5  0.49  1.0
  Ta  Ta2  1  0.54  0.5  0.51  1.0
  Sb  Sb3  1  0.07  0.0  0.0  1.0

Sr Ta Ta Sb
Sr Ta Ta Sb 0 3 o o o 1 2 o o o 