data_ZrSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.07
_cell_angle_alpha   103.12
_cell_angle_beta   103.12
_cell_angle_gamma   113.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnPd2
_chemical_formula_sum   'Zr1 Sn1 Pd2'
_cell_volume   75.7
_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  Sn2  1  0.99  0.0  0.0  1.0
  Pd  Pd0  1  0.86  0.27  0.4  1.0
  Pd  Pd1  1  0.86  0.73  0.4  1.0

data_ZrSnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   113.14
_cell_angle_beta   103.12
_cell_angle_gamma   103.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnPd2
_chemical_formula_sum   'Zr1 Sn1 Pd2'
_cell_volume   75.7
_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  0.0  0.99  0.0  1.0
  Pd  Pd2  1  0.4  0.86  0.73  1.0
  Pd  Pd3  1  0.4  0.86  0.27  1.0

Zr Sn Pd Pd