data_SrTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.56
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcIr2
_chemical_formula_sum   'Sr1 Tc1 Ir2'
_cell_volume   75.53
_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  Sr2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.72  1.0
  Ir  Ir0  1  0.43  0.78  0.1  1.0
  Ir  Ir1  1  0.43  0.78  0.34  1.0

data_SrTcIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.56
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcIr2
_chemical_formula_sum   'Sr1 Tc1 Ir2'
_cell_volume   75.53
_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
  Tc  Tc1  1  0.0  0.0  0.72  1.0
  Ir  Ir2  1  0.43  0.78  0.1  1.0
  Ir  Ir3  1  0.43  0.78  0.34  1.0

Sr Tc Ir Ir
Sr Tc Ir Ir 0 2 - - o 0 2 o - o 0 1 o o - 2 3 o o o 