data_ZnAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2Pd
_chemical_formula_sum   'Zn1 Ag2 Pd1'
_cell_volume   65.18
_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
  Ag  Ag0  1  0.04  0.0  0.86  1.0
  Ag  Ag1  1  0.04  0.0  0.81  1.0
  Pd  Pd2  1  0.0  0.0  0.83  1.0

data_ZnAg2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnAg2Pd
_chemical_formula_sum   'Zn1 Ag2 Pd1'
_cell_volume   65.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ag  Ag1  1  0.04  0.0  0.81  1.0
  Ag  Ag2  1  0.04  0.0  0.86  1.0
  Pd  Pd3  1  0.0  0.0  0.83  1.0

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