data_ZrFePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.12
_cell_angle_alpha   113.15
_cell_angle_beta   113.15
_cell_angle_gamma   43.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFePd2
_chemical_formula_sum   'Zr1 Fe1 Pd2'
_cell_volume   64.28
_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  0.73  0.0  0.85  1.0
  Fe  Fe0  1  0.57  0.0  0.89  1.0
  Pd  Pd1  1  0.04  0.0  0.06  1.0
  Pd  Pd2  1  0.03  0.0  0.79  1.0

data_ZrFePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.12
_cell_length_c   5.02
_cell_angle_alpha   113.15
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFePd2
_chemical_formula_sum   'Zr1 Fe1 Pd2'
_cell_volume   64.28
_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  0.85  0.73  1.0
  Fe  Fe1  1  0.0  0.89  0.57  1.0
  Pd  Pd2  1  0.0  0.06  0.04  1.0
  Pd  Pd3  1  0.0  0.79  0.03  1.0

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