data_SrAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAg2Ge
_chemical_formula_sum   'Sr1 Ag2 Ge1'
_cell_volume   93.22
_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  0.79  0.79  0.45  1.0
  Ag  Ag0  1  0.0  0.0  0.38  1.0
  Ag  Ag1  1  0.79  0.79  0.92  1.0
  Ge  Ge2  1  0.0  0.0  0.2  1.0

data_SrAg2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrAg2Ge
_chemical_formula_sum   'Sr2 Ag4 Ge2'
_cell_volume   186.44
_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  0.29  0.5  0.45  1.0
  Ag  Ag1  2  0.0  0.0  0.38  1.0
  Ag  Ag2  2  0.29  0.5  0.92  1.0
  Ge  Ge3  2  0.0  0.0  0.2  1.0

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