data_FeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.69
_cell_angle_alpha   95.12
_cell_angle_beta   95.12
_cell_angle_gamma   38.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2
_chemical_formula_sum   'Fe2 Ge4'
_cell_volume   89.49
_cell_formula_units_Z   2
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  0.59  0.0  0.34  1.0
  Fe  Fe1  1  0.29  0.0  0.27  1.0
  Ge  Ge2  1  0.71  0.0  0.64  1.0
  Ge  Ge3  1  0.59  0.0  0.68  1.0
  Ge  Ge4  1  0.08  0.0  0.99  1.0
  Ge  Ge5  1  0.08  0.0  0.6  1.0

data_FeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.63
_cell_length_c   6.69
_cell_angle_alpha   95.12
_cell_angle_beta   90.0
_cell_angle_gamma   109.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2
_chemical_formula_sum   'Fe2 Ge4'
_cell_volume   89.49
_cell_formula_units_Z   2
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  0.41  0.66  1.0
  Fe  Fe1  1  0.0  0.71  0.73  1.0
  Ge  Ge2  1  0.0  0.29  0.36  1.0
  Ge  Ge3  1  0.0  0.41  0.32  1.0
  Ge  Ge4  1  0.0  0.92  0.4  1.0
  Ge  Ge5  1  0.0  0.92  0.01  1.0

Fe Fe Ge Ge Ge Ge