data_SrTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   16.67
_cell_angle_beta   16.67
_cell_angle_gamma   16.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcIr2
_chemical_formula_sum   'Sr1 Tc1 Ir2'
_cell_volume   69.29
_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  0.62  1.0
  Ir  Ir0  1  0.0  0.0  0.24  1.0
  Ir  Ir1  1  0.0  0.0  0.99  1.0

data_SrTcIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.87
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   99.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTcIr2
_chemical_formula_sum   'Sr2 Tc2 Ir4'
_cell_volume   138.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.38  1.0
  Ir  Ir2  2  0.0  0.0  0.76  1.0
  Ir  Ir3  2  0.0  0.0  0.01  1.0

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