data_ZrIrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.91
_cell_angle_alpha   103.17
_cell_angle_beta   103.17
_cell_angle_gamma   118.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIrPd2
_chemical_formula_sum   'Zr1 Ir1 Pd2'
_cell_volume   65.83
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.74  0.0  0.0  1.0
  Pd  Pd1  1  0.72  0.69  0.3  1.0
  Pd  Pd2  1  0.72  0.31  0.3  1.0

data_ZrIrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.92
_cell_length_c   5.37
_cell_angle_alpha   115.65
_cell_angle_beta   103.17
_cell_angle_gamma   95.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIrPd2
_chemical_formula_sum   'Zr1 Ir1 Pd2'
_cell_volume   65.83
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  -0.0  0.0  0.74  1.0
  Pd  Pd2  1  0.61  0.31  0.03  1.0
  Pd  Pd3  1  1.0  0.69  0.41  1.0

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