data_FeAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   17.36
_cell_angle_beta   17.36
_cell_angle_gamma   17.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Ge
_chemical_formula_sum   'Fe1 Ag2 Ge1'
_cell_volume   67.44
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.16  1.0
  Ag  Ag1  1  0.0  0.0  0.02  1.0
  Ge  Ge3  1  0.0  0.0  0.09  1.0

data_FeAg2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeAg2Ge
_chemical_formula_sum   'Fe2 Ag4 Ge2'
_cell_volume   134.87
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.84  1.0
  Ag  Ag2  2  0.0  0.0  0.98  1.0
  Ge  Ge3  2  0.0  0.0  0.91  1.0

Fe Ag Ag Ge
Fe Ag Ag Ge 0 2 o o o 1 3 o o o 2 3 o o o 