data_YTlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   143.93
_cell_angle_beta   138.7
_cell_angle_gamma   55.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlIr
_chemical_formula_sum   'Y1 Tl1 Ir1'
_cell_volume   65.07
_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  0.4  1.0
  Tl  Tl1  1  0.0  0.0  0.41  1.0
  Ir  Ir0  1  0.0  0.0  0.71  1.0

data_YTlIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.9
_cell_length_c   5.53
_cell_angle_alpha   110.65
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlIr
_chemical_formula_sum   'Y1 Tl1 Ir1'
_cell_volume   65.07
_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  Y0  1  0.6  0.6  0.6  1.0
  Tl  Tl1  1  0.59  0.59  0.59  1.0
  Ir  Ir2  1  0.29  0.29  0.29  1.0

Y Tl Ir