data_ZrMnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.65
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPd2
_chemical_formula_sum   'Zr1 Mn1 Pd2'
_cell_volume   68.2
_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  0.13  0.33  0.11  1.0
  Mn  Mn0  1  0.05  0.0  0.09  1.0
  Pd  Pd1  1  0.58  0.33  0.55  1.0
  Pd  Pd2  1  0.61  0.0  0.49  1.0

data_ZrMnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.65
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPd2
_chemical_formula_sum   'Zr1 Mn1 Pd2'
_cell_volume   68.2
_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  0.13  0.33  0.11  1.0
  Mn  Mn1  1  0.05  0.0  0.09  1.0
  Pd  Pd2  1  0.58  0.33  0.55  1.0
  Pd  Pd3  1  0.61  0.0  0.49  1.0

Zr Mn Pd Pd