data_Zr2OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2OsPd
_chemical_formula_sum   'Zr2 Os1 Pd1'
_cell_volume   74.73
_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  0.65  0.0  0.15  1.0
  Zr  Zr3  1  0.0  0.0  0.69  1.0
  Os  Os0  1  0.65  0.0  0.65  1.0
  Pd  Pd1  1  0.0  0.0  0.42  1.0

data_Zr2OsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2OsPd
_chemical_formula_sum   'Zr2 Os1 Pd1'
_cell_volume   74.73
_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  0.69  1.0
  Zr  Zr1  1  0.65  0.0  0.15  1.0
  Pd  Pd2  1  0.0  0.0  0.42  1.0
  Os  Os3  1  0.65  0.0  0.65  1.0

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