data_CoTc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.7
_cell_angle_alpha   98.8
_cell_angle_beta   98.8
_cell_angle_gamma   33.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc2Ir
_chemical_formula_sum   'Co1 Tc2 Ir1'
_cell_volume   54.87
_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
  Co  Co0  1  0.05  0.0  0.35  1.0
  Tc  Tc2  1  0.01  0.0  0.01  1.0
  Tc  Tc3  1  0.62  0.0  0.41  1.0
  Ir  Ir1  1  0.43  0.0  0.18  1.0

data_CoTc2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.61
_cell_length_c   4.7
_cell_angle_alpha   98.8
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc2Ir
_chemical_formula_sum   'Co1 Tc2 Ir1'
_cell_volume   54.87
_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
  Co  Co0  1  0.0  0.95  0.65  1.0
  Tc  Tc1  1  0.0  0.38  0.59  1.0
  Tc  Tc2  1  0.0  0.99  0.99  1.0
  Ir  Ir3  1  0.0  0.57  0.82  1.0

Co Tc Tc Ir