data_FeGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   2.96
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   112.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe3
_chemical_formula_sum   'Fe1 Ge3'
_cell_volume   69.06
_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  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.27  0.48  0.35  1.0
  Ge  Ge2  1  0.22  0.0  0.0  1.0
  Ge  Ge3  1  0.03  0.48  0.9  1.0

data_FeGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.44
_cell_length_c   5.67
_cell_angle_alpha   112.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe3
_chemical_formula_sum   'Fe1 Ge3'
_cell_volume   69.06
_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  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.78  -0.0  1.0
  Ge  Ge2  1  0.52  0.73  0.65  1.0
  Ge  Ge3  1  0.52  0.97  0.1  1.0

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