data_Sr2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.77
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GeS4
_chemical_formula_sum   'Sr4 Ge2 S8'
_cell_volume   362.64
_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  Sr10  1  0.73  0.69  0.46  1.0
  Sr  Sr11  1  0.51  0.08  0.43  1.0
  Sr  Sr12  1  0.77  0.69  0.42  1.0
  Sr  Sr13  1  0.47  0.08  0.46  1.0
  Ge  Ge8  1  0.33  0.69  0.56  1.0
  Ge  Ge9  1  0.91  0.08  0.32  1.0
  S  S0  1  0.57  0.37  0.84  1.0
  S  S1  1  0.67  0.75  0.04  1.0
  S  S2  1  0.67  0.4  0.04  1.0
  S  S3  1  0.57  0.02  0.84  1.0
  S  S4  1  0.57  0.69  0.94  1.0
  S  S5  1  0.67  0.08  0.94  1.0
  S  S6  1  0.95  0.08  0.61  1.0
  S  S7  1  0.29  0.69  0.28  1.0

data_Sr2GeS4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.77
_cell_length_b   6.79
_cell_length_c   8.29
_cell_angle_alpha   107.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sr2GeS4
_chemical_formula_sum   'Sr4 Ge2 S8'
_cell_volume   362.64
_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  0.19  0.85  0.52  1.0
  Sr  Sr1  2  0.19  0.89  0.48  1.0
  Ge  Ge2  2  0.19  0.29  0.38  1.0
  S  S3  2  0.13  0.95  0.9  1.0
  S  S4  2  0.19  0.05  1.0  1.0
  S  S5  2  0.19  0.33  0.67  1.0
  S  S6  2  0.48  0.95  0.9  1.0

Sr Sr Sr Sr Ge Ge S S S S S S S S