data_SrGeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   138.08
_cell_angle_beta   138.08
_cell_angle_gamma   60.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGeP2
_chemical_formula_sum   'Sr1 Ge1 P2'
_cell_volume   85.31
_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
  Sr  Sr3  1  0.07  0.0  0.49  1.0
  Ge  Ge0  1  0.0  0.0  0.99  1.0
  P  P1  1  0.0  0.07  0.49  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_SrGeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.78
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGeP2
_chemical_formula_sum   'Sr1 Ge1 P2'
_cell_volume   85.31
_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
  Sr  Sr0  1  0.49  0.43  0.43  1.0
  Ge  Ge1  1  0.99  0.99  0.99  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.43  0.49  0.43  1.0

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