data_Si2POs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   132.99
_cell_angle_beta   132.99
_cell_angle_gamma   68.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2POs2
_chemical_formula_sum   'Si2 P1 Os2'
_cell_volume   79.01
_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  0.51  1.0
  Si  Si4  1  0.0  0.0  0.27  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.12  0.2  1.0
  Os  Os1  1  0.12  0.0  0.2  1.0

data_Si2POs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   124.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2POs2
_chemical_formula_sum   'Si4 P2 Os4'
_cell_volume   158.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  Si  Si1  2  0.0  0.0  0.51  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Os  Os3  4  0.44  0.44  0.07  1.0

Si Si P Os Os