data_TeIrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   4.71
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   92.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeIrPd2
_chemical_formula_sum   'Te1 Ir1 Pd2'
_cell_volume   71.08
_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
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.74  0.0  0.05  1.0
  Pd  Pd1  1  0.68  0.35  0.05  1.0
  Pd  Pd2  1  0.8  0.35  0.05  1.0

data_TeIrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.1
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeIrPd2
_chemical_formula_sum   'Te1 Ir1 Pd2'
_cell_volume   71.08
_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
  Te  Te0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.2  0.95  0.65  1.0
  Ir  Ir2  1  0.26  0.95  0.0  1.0
  Pd  Pd3  1  0.32  0.95  0.65  1.0

Te Ir Pd Pd
Te Ir Pd Pd 0 1 - o o 2 3 o o o 