data_SrGeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   149.71
_cell_angle_beta   149.71
_cell_angle_gamma   43.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGeCl
_chemical_formula_sum   'Sr1 Ge1 Cl1'
_cell_volume   88.53
_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  0.0  0.0  0.43  1.0
  Ge  Ge1  1  0.0  0.0  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.49  1.0

data_SrGeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   111.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrGeCl
_chemical_formula_sum   'Sr2 Ge2 Cl2'
_cell_volume   177.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.57  1.0
  Ge  Ge1  2  0.0  0.0  0.84  1.0
  Cl  Cl2  2  0.0  0.0  0.51  1.0

Sr Ge Cl
Sr Ge Cl 0 2 o o o 0 1 o o o 