data_YTcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   153.89
_cell_angle_beta   153.89
_cell_angle_gamma   37.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcIr
_chemical_formula_sum   'Y1 Tc1 Ir1'
_cell_volume   54.9
_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
  Y  Y2  1  0.0  0.0  0.29  1.0
  Tc  Tc1  1  0.0  0.0  0.41  1.0
  Ir  Ir0  1  0.0  0.0  0.21  1.0

data_YTcIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTcIr
_chemical_formula_sum   'Y2 Tc2 Ir2'
_cell_volume   109.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.29  0.0  0.29  1.0
  Tc  Tc1  2  0.41  0.0  0.41  1.0
  Ir  Ir2  2  0.21  0.0  0.21  1.0

Y Tc Ir