data_ScOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   149.07
_cell_angle_beta   130.98
_cell_angle_gamma   59.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs2Pd
_chemical_formula_sum   'Sc1 Os2 Pd1'
_cell_volume   63.66
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.28  0.38  1.0
  Os  Os1  1  0.46  0.0  0.39  1.0
  Pd  Pd2  1  0.0  0.0  0.77  1.0

data_ScOs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.55
_cell_length_c   5.49
_cell_angle_alpha   114.51
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs2Pd
_chemical_formula_sum   'Sc1 Os2 Pd1'
_cell_volume   63.66
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.07  0.61  0.07  1.0
  Pd  Pd2  1  0.23  0.23  0.23  1.0
  Os  Os3  1  0.62  0.9  0.9  1.0

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