data_ScP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   140.14
_cell_angle_beta   140.14
_cell_angle_gamma   57.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2Os
_chemical_formula_sum   'Sc1 P2 Os1'
_cell_volume   60.44
_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  0.64  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.8  0.0  0.32  1.0
  Os  Os0  1  0.0  0.8  0.32  1.0

data_ScP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   5.3
_cell_angle_alpha   109.93
_cell_angle_beta   109.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2Os
_chemical_formula_sum   'Sc1 P2 Os1'
_cell_volume   60.44
_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  0.64  0.64  0.64  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.32  0.51  0.51  1.0
  Os  Os3  1  0.51  0.32  0.51  1.0

Sc P P Os