data_SrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.37
_cell_angle_alpha   99.45
_cell_angle_beta   99.45
_cell_angle_gamma   36.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGe2
_chemical_formula_sum   'Sr2 Ge4'
_cell_volume   160.92
_cell_formula_units_Z   2
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  Sr4  1  0.02  0.0  0.65  1.0
  Sr  Sr5  1  0.37  0.0  0.62  1.0
  Ge  Ge0  1  0.36  0.0  0.85  1.0
  Ge  Ge1  1  0.21  0.0  0.4  1.0
  Ge  Ge2  1  0.19  0.0  0.87  1.0
  Ge  Ge3  1  0.03  0.0  0.42  1.0

data_SrGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.11
_cell_length_b   6.37
_cell_length_c   6.58
_cell_angle_alpha   99.45
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrGe2
_chemical_formula_sum   'Sr2 Ge4'
_cell_volume   160.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.49  0.18  1.0
  Ge  Ge1  2  0.0  0.26  0.01  1.0
  Ge  Ge2  2  0.0  0.29  0.84  1.0

Sr Sr Ge Ge Ge Ge