data_ScPOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   136.43
_cell_angle_beta   136.43
_cell_angle_gamma   63.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPOs2
_chemical_formula_sum   'Sc1 P1 Os2'
_cell_volume   58.66
_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  0.86  0.0  0.13  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.0  0.26  1.0
  Os  Os1  1  0.0  0.86  0.13  1.0

data_ScPOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   5.0
_cell_angle_alpha   111.78
_cell_angle_beta   111.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPOs2
_chemical_formula_sum   'Sc1 P1 Os2'
_cell_volume   58.66
_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  0.13  0.27  0.27  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.26  0.26  0.26  1.0
  Os  Os3  1  0.27  0.13  0.27  1.0

Sc P Os Os