data_ZrZn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.25
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Pd
_chemical_formula_sum   'Zr1 Zn2 Pd1'
_cell_volume   67.07
_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  0.38  1.0
  Zn  Zn1  1  0.0  0.0  0.65  1.0
  Zn  Zn2  1  0.55  0.62  0.48  1.0
  Pd  Pd0  1  0.55  0.62  0.18  1.0

data_ZrZn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.25
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Pd
_chemical_formula_sum   'Zr1 Zn2 Pd1'
_cell_volume   67.07
_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  0.38  1.0
  Zn  Zn1  1  0.0  0.0  0.65  1.0
  Zn  Zn2  1  0.55  0.62  0.48  1.0
  Pd  Pd3  1  0.55  0.62  0.18  1.0

Zr Zn Zn Pd