data_Mo2OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   131.22
_cell_angle_beta   131.22
_cell_angle_gamma   71.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2OsPd
_chemical_formula_sum   'Mo2 Os1 Pd1'
_cell_volume   61.02
_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
  Mo  Mo0  1  0.0  0.98  0.95  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.98  0.0  0.95  1.0
  Pd  Pd3  1  0.0  0.0  0.89  1.0

data_Mo2OsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   4.79
_cell_angle_alpha   114.39
_cell_angle_beta   114.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2OsPd
_chemical_formula_sum   'Mo2 Os1 Pd1'
_cell_volume   61.02
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.03  0.98  0.03  1.0
  Os  Os2  1  0.05  0.0  0.03  1.0
  Pd  Pd3  1  0.11  0.0  0.11  1.0

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