data_GeP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   154.09
_cell_angle_beta   148.54
_cell_angle_gamma   41.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeP2Os
_chemical_formula_sum   'Ge1 P2 Os1'
_cell_volume   61.4
_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
  Ge  Ge0  1  0.0  0.0  0.51  1.0
  P  P2  1  0.0  0.0  0.71  1.0
  P  P3  1  0.0  0.75  0.35  1.0
  Os  Os1  1  0.45  0.0  0.53  1.0

data_GeP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.5
_cell_length_c   6.46
_cell_angle_alpha   105.73
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeP2Os
_chemical_formula_sum   'Ge1 P2 Os1'
_cell_volume   61.4
_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
  Ge  Ge0  1  0.49  0.49  0.49  1.0
  P  P1  1  0.29  0.29  0.29  1.0
  P  P2  1  0.65  0.4  0.4  1.0
  Os  Os3  1  0.92  0.47  0.92  1.0

Ge P P Os
Ge P P Os 0 2 o - o 0 1 o o o 0 3 o o o 1 2 o - o 1 3 o o + 1 3 - - - 1 3 - o o 2 3 o + o 2 3 - + o 2 3 - o - 3 3 o + + 