data_ZrOsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   147.97
_cell_angle_beta   133.16
_cell_angle_gamma   57.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOsPd
_chemical_formula_sum   'Zr1 Os1 Pd1'
_cell_volume   50.84
_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  Zr2  1  0.0  0.0  0.91  1.0
  Os  Os0  1  0.0  0.0  0.88  1.0
  Pd  Pd1  1  0.0  0.0  0.05  1.0

data_ZrOsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.05
_cell_length_c   5.1
_cell_angle_alpha   113.42
_cell_angle_beta   106.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOsPd
_chemical_formula_sum   'Zr1 Os1 Pd1'
_cell_volume   50.84
_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  0.09  0.09  0.09  1.0
  Os  Os1  1  0.12  0.12  0.12  1.0
  Pd  Pd2  1  0.95  0.95  0.95  1.0

Zr Os Pd
Zr Os Pd 0 1 o o o 0 2 o o + 1 2 o o + 