data_ZrSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.92
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Pd
_chemical_formula_sum   'Zr1 Sn2 Pd1'
_cell_volume   83.26
_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
  Sn  Sn1  1  0.57  0.96  0.94  1.0
  Sn  Sn2  1  0.57  0.96  0.81  1.0
  Pd  Pd0  1  0.0  0.0  0.37  1.0

data_ZrSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.92
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Pd
_chemical_formula_sum   'Zr1 Sn2 Pd1'
_cell_volume   83.26
_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
  Sn  Sn1  1  0.57  0.96  0.81  1.0
  Sn  Sn2  1  0.57  0.96  0.94  1.0
  Pd  Pd3  1  0.0  0.0  0.37  1.0

Zr Sn Sn Pd
Zr Sn Sn Pd 0 1 - - - 0 3 o o o 1 2 o o o 1 3 + + + 1 3 o + + 2 3 + + o 2 3 o + o 3 3 + o o 