data_ZnTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   147.68
_cell_angle_beta   128.91
_cell_angle_gamma   61.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcIr2
_chemical_formula_sum   'Zn1 Tc1 Ir2'
_cell_volume   57.55
_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
  Zn  Zn3  1  0.0  0.0  0.69  1.0
  Tc  Tc2  1  0.0  0.24  0.11  1.0
  Ir  Ir0  1  0.0  0.24  0.3  1.0
  Ir  Ir1  1  0.0  0.0  0.27  1.0

data_ZnTcIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.47
_cell_length_c   5.19
_cell_angle_alpha   115.55
_cell_angle_beta   106.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcIr2
_chemical_formula_sum   'Zn1 Tc1 Ir2'
_cell_volume   57.55
_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
  Zn  Zn0  1  0.0  0.69  0.69  1.0
  Tc  Tc1  1  0.76  0.87  0.87  1.0
  Ir  Ir2  1  0.0  0.27  0.27  1.0
  Ir  Ir3  1  0.76  0.06  0.06  1.0

Zn Tc Ir Ir
Zn Tc Ir Ir 0 1 o o + 1 2 o o o 2 3 o o o 