data_CoTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   132.4
_cell_angle_beta   132.4
_cell_angle_gamma   69.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcIr2
_chemical_formula_sum   'Co1 Tc1 Ir2'
_cell_volume   54.42
_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  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.88  0.92  1.0
  Ir  Ir1  1  0.88  0.0  0.92  1.0
  Ir  Ir2  1  0.0  0.0  0.83  1.0

data_CoTcIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   4.67
_cell_angle_alpha   113.8
_cell_angle_beta   113.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcIr2
_chemical_formula_sum   'Co1 Tc1 Ir2'
_cell_volume   54.42
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.03  0.92  0.03  1.0
  Ir  Ir2  1  0.83  0.83  0.83  1.0
  Ir  Ir3  1  0.92  0.03  0.03  1.0

Co Tc Ir Ir