data_ZrIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.83
_cell_angle_alpha   101.05
_cell_angle_beta   101.05
_cell_angle_gamma   34.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIr2Pd
_chemical_formula_sum   'Zr1 Ir2 Pd1'
_cell_volume   65.25
_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  0.76  0.0  0.22  1.0
  Ir  Ir1  1  0.65  0.0  0.51  1.0
  Pd  Pd2  1  0.2  0.0  0.37  1.0

data_ZrIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.83
_cell_length_c   4.91
_cell_angle_alpha   101.05
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIr2Pd
_chemical_formula_sum   'Zr1 Ir2 Pd1'
_cell_volume   65.25
_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  0.22  0.76  1.0
  Pd  Pd2  1  0.0  0.37  0.2  1.0
  Ir  Ir3  1  0.0  0.51  0.65  1.0

Zr Ir Ir Pd