data_Sr2GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.82
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   97.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GeP
_chemical_formula_sum   'Sr2 Ge1 P1'
_cell_volume   109.36
_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  Sr2  1  0.39  0.41  0.68  1.0
  Sr  Sr3  1  0.26  0.0  0.97  1.0
  Ge  Ge0  1  0.26  0.41  0.24  1.0
  P  P1  1  0.16  0.0  0.35  1.0

data_Sr2GeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.82
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   97.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GeP
_chemical_formula_sum   'Sr2 Ge1 P1'
_cell_volume   109.36
_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  0.26  0.0  0.97  1.0
  Sr  Sr1  1  0.39  0.41  0.68  1.0
  Ge  Ge2  1  0.26  0.41  0.24  1.0
  P  P3  1  0.16  0.0  0.35  1.0

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