data_TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcIr
_chemical_formula_sum   'Tc4 Ir4'
_cell_volume   161.72
_cell_formula_units_Z   4
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  Tc4  1  0.08  0.2  0.04  1.0
  Tc  Tc5  1  0.0  0.4  0.42  1.0
  Tc  Tc6  1  0.0  0.4  0.73  1.0
  Tc  Tc7  1  0.08  0.2  0.35  1.0
  Ir  Ir0  1  0.0  0.0  0.69  1.0
  Ir  Ir1  1  0.0  0.0  0.08  1.0
  Ir  Ir2  1  0.08  0.2  0.08  1.0
  Ir  Ir3  1  0.0  0.4  0.69  1.0

data_TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcIr
_chemical_formula_sum   'Tc4 Ir4'
_cell_volume   161.72
_cell_formula_units_Z   4
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  0.4  0.42  1.0
  Tc  Tc1  1  0.0  0.4  0.73  1.0
  Tc  Tc2  1  0.08  0.2  0.04  1.0
  Tc  Tc3  1  0.08  0.2  0.35  1.0
  Ir  Ir4  1  0.0  0.0  0.08  1.0
  Ir  Ir5  1  0.0  0.0  0.69  1.0
  Ir  Ir6  1  0.0  0.4  0.69  1.0
  Ir  Ir7  1  0.08  0.2  0.08  1.0

Tc Tc Tc Tc Ir Ir Ir Ir
Tc Tc Tc Tc Ir Ir Ir Ir 0 6 o o o 0 5 o o o 1 3 o o o 2 7 o o o 2 4 o o o 4 7 o o o 5 6 o o o 