data_Re2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   147.49
_cell_angle_beta   129.72
_cell_angle_gamma   61.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2POs
_chemical_formula_sum   'Re2 P1 Os1'
_cell_volume   55.62
_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
  Re  Re2  1  0.0  0.18  0.12  1.0
  Re  Re3  1  0.0  0.0  0.22  1.0
  P  P1  1  0.0  0.0  0.62  1.0
  Os  Os0  1  0.0  0.18  0.31  1.0

data_Re2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.37
_cell_length_c   5.14
_cell_angle_alpha   115.14
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2POs
_chemical_formula_sum   'Re2 P1 Os1'
_cell_volume   55.62
_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
  Re  Re0  1  0.78  0.78  0.78  1.0
  Re  Re1  1  0.88  0.06  0.06  1.0
  P  P2  1  0.38  0.38  0.38  1.0
  Os  Os3  1  0.69  0.87  0.87  1.0

Re Re P Os