data_Zr2FePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   6.7
_cell_angle_alpha   96.55
_cell_angle_beta   96.55
_cell_angle_gamma   46.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2FePd
_chemical_formula_sum   'Zr2 Fe1 Pd1'
_cell_volume   73.09
_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  Zr2  1  0.14  0.0  0.45  1.0
  Zr  Zr3  1  0.15  0.0  0.19  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.15  0.0  0.32  1.0

data_Zr2FePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.88
_cell_length_c   6.7
_cell_angle_alpha   96.55
_cell_angle_beta   90.0
_cell_angle_gamma   113.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2FePd
_chemical_formula_sum   'Zr2 Fe1 Pd1'
_cell_volume   73.09
_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  0.81  1.0
  Zr  Zr1  1  0.0  0.86  0.55  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.85  0.68  1.0

Zr Zr Fe Pd