data_AgGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   123.38
_cell_angle_beta   123.38
_cell_angle_gamma   84.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGeSb2
_chemical_formula_sum   'Ag1 Ge1 Sb2'
_cell_volume   93.07
_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
  Ag  Ag0  1  0.0  0.0  0.85  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.46  0.0  0.92  1.0
  Sb  Sb3  1  0.0  0.46  0.92  1.0

data_AgGeSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   132.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgGeSb2
_chemical_formula_sum   'Ag2 Ge2 Sb4'
_cell_volume   186.15
_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
  Ag  Ag0  2  0.0  0.0  0.85  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.27  0.27  0.46  1.0

Ag Ge Sb Sb
Ag Ge Sb Sb 0 1 o o + 0 2 o o o 0 3 o o o 1 2 o o - 1 2 - o - 1 3 o - - 1 3 o o - 