data_SrTa2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   3.91
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Ir
_chemical_formula_sum   'Sr1 Ta2 Ir1'
_cell_volume   89.62
_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  0.96  0.56  1.0
  Ta  Ta3  1  0.17  0.96  0.18  1.0
  Ir  Ir0  1  0.88  0.0  0.87  1.0

data_SrTa2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.91
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Ir
_chemical_formula_sum   'Sr1 Ta2 Ir1'
_cell_volume   89.62
_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  0.17  0.96  0.18  1.0
  Ta  Ta2  1  0.54  0.96  0.56  1.0
  Ir  Ir3  1  0.88  0.0  0.87  1.0

Sr Ta Ta Ir