data_TcSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.47
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbIr2
_chemical_formula_sum   'Tc1 Sb1 Ir2'
_cell_volume   64.14
_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
  Tc  Tc3  1  0.0  0.0  0.97  1.0
  Sb  Sb2  1  0.0  0.24  0.68  1.0
  Ir  Ir0  1  0.44  0.24  0.22  1.0
  Ir  Ir1  1  0.44  0.0  0.59  1.0

data_TcSbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.47
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbIr2
_chemical_formula_sum   'Tc1 Sb1 Ir2'
_cell_volume   64.14
_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
  Tc  Tc0  1  0.0  0.0  0.97  1.0
  Sb  Sb1  1  0.0  0.24  0.68  1.0
  Ir  Ir2  1  0.44  0.0  0.59  1.0
  Ir  Ir3  1  0.44  0.24  0.22  1.0

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