data_FeAgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   130.73
_cell_angle_beta   130.73
_cell_angle_gamma   72.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgGe2
_chemical_formula_sum   'Fe1 Ag1 Ge2'
_cell_volume   65.1
_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  Fe1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.94  1.0
  Ge  Ge2  1  0.03  0.0  0.97  1.0
  Ge  Ge3  1  0.0  0.03  0.97  1.0

data_FeAgGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   126.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeAgGe2
_chemical_formula_sum   'Fe2 Ag2 Ge4'
_cell_volume   130.2
_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  0.06  0.0  0.06  1.0
  Ge  Ge2  4  0.05  0.02  0.06  1.0

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