data_ZnNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.44
_cell_angle_alpha   101.64
_cell_angle_beta   101.64
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2Pd
_chemical_formula_sum   'Zn1 Ni2 Pd1'
_cell_volume   50.91
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.27  0.0  0.05  1.0
  Ni  Ni1  1  0.49  0.0  0.29  1.0
  Pd  Pd2  1  0.88  0.0  0.17  1.0

data_ZnNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.44
_cell_length_c   4.55
_cell_angle_alpha   101.64
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2Pd
_chemical_formula_sum   'Zn1 Ni2 Pd1'
_cell_volume   50.91
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.05  0.27  1.0
  Ni  Ni2  1  0.0  0.29  0.49  1.0
  Pd  Pd3  1  0.0  0.17  0.88  1.0

Zn Ni Ni Pd
Zn Ni Ni Pd 0 3 - o o 0 1 o o o 1 2 o o o 