data_TcAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   3.96
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgIr2
_chemical_formula_sum   'Tc1 Ag1 Ir2'
_cell_volume   61.12
_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  0.67  1.0
  Ag  Ag0  1  0.37  0.98  0.24  1.0
  Ir  Ir1  1  0.0  0.0  0.06  1.0
  Ir  Ir2  1  0.37  0.98  0.48  1.0

data_TcAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.96
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgIr2
_chemical_formula_sum   'Tc1 Ag1 Ir2'
_cell_volume   61.12
_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  0.67  1.0
  Ag  Ag1  1  0.37  0.98  0.24  1.0
  Ir  Ir2  1  0.0  0.0  0.06  1.0
  Ir  Ir3  1  0.37  0.98  0.48  1.0

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