data_TcMoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   131.55
_cell_angle_beta   131.55
_cell_angle_gamma   70.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMoIr2
_chemical_formula_sum   'Tc1 Mo1 Ir2'
_cell_volume   59.17
_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  0.95  0.0  0.94  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.88  1.0
  Ir  Ir1  1  0.0  0.95  0.94  1.0

data_TcMoIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   4.76
_cell_angle_alpha   114.22
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMoIr2
_chemical_formula_sum   'Tc1 Mo1 Ir2'
_cell_volume   59.17
_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  0.06  0.0  0.01  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.01  0.95  0.01  1.0
  Ir  Ir3  1  0.12  0.0  0.12  1.0

Tc Mo Ir Ir