data_Ge2SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.07
_cell_angle_alpha   100.04
_cell_angle_beta   100.04
_cell_angle_gamma   119.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbP
_chemical_formula_sum   'Ge2 Sb1 P1'
_cell_volume   81.56
_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  0.91  0.55  0.44  1.0
  Ge  Ge1  1  0.91  0.45  0.44  1.0
  Sb  Sb3  1  0.88  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Ge2SbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.52
_cell_length_c   5.69
_cell_angle_alpha   115.59
_cell_angle_beta   100.04
_cell_angle_gamma   101.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbP
_chemical_formula_sum   'Ge2 Sb1 P1'
_cell_volume   81.56
_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  0.89  0.45  0.36  1.0
  Ge  Ge1  1  0.99  0.55  0.46  1.0
  Sb  Sb2  1  0.0  0.0  0.88  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ge Ge Sb P
Ge Ge Sb P 0 1 o o o 2 3 + o o 