data_SiP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   152.0
_cell_angle_beta   140.65
_cell_angle_gamma   48.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2Os
_chemical_formula_sum   'Si1 P2 Os1'
_cell_volume   62.14
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.44  0.0  0.36  1.0
  P  P2  1  0.0  1.0  0.05  1.0
  Os  Os0  1  0.0  0.0  0.41  1.0

data_SiP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.0
_cell_length_c   5.94
_cell_angle_alpha   109.67
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2Os
_chemical_formula_sum   'Si1 P2 Os1'
_cell_volume   62.14
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.36  0.92  1.0
  P  P2  1  0.0  0.05  0.05  1.0
  Os  Os3  1  0.0  0.41  0.41  1.0

Si P P Os