data_U3Fe2Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.55
_cell_length_b   12.55
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   160.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U3Fe2Ge7
_chemical_formula_sum   'U3 Fe2 Ge7'
_cell_volume   218.44
_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
  U  U0  1  0.09  0.0  0.12  1.0
  U  U1  1  0.09  0.21  0.0  1.0
  U  U2  1  0.09  0.79  0.0  1.0
  Fe  Fe3  1  0.09  0.89  0.12  1.0
  Fe  Fe4  1  0.09  0.11  0.12  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0
  Ge  Ge6  1  0.09  0.55  0.12  1.0
  Ge  Ge7  1  0.09  0.45  0.12  1.0
  Ge  Ge8  1  0.09  0.77  0.12  1.0
  Ge  Ge9  1  0.09  0.23  0.12  1.0
  Ge  Ge10  1  0.09  0.84  0.0  1.0
  Ge  Ge11  1  0.09  0.16  0.0  1.0

data_U3Fe2Ge7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.23
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   99.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U3Fe2Ge7
_chemical_formula_sum   'U3 Fe2 Ge7'
_cell_volume   218.44
_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
  U  U0  1  0.0  0.88  0.91  1.0
  U  U1  1  0.21  -0.0  0.13  1.0
  U  U2  1  0.79  -0.0  0.7  1.0
  Fe  Fe3  1  0.11  0.88  0.02  1.0
  Fe  Fe4  1  0.89  0.88  0.8  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0
  Ge  Ge6  1  0.16  -0.0  0.08  1.0
  Ge  Ge7  1  0.23  0.88  0.15  1.0
  Ge  Ge8  1  0.45  0.88  0.36  1.0
  Ge  Ge9  1  0.55  0.88  0.47  1.0
  Ge  Ge10  1  0.77  0.88  0.68  1.0
  Ge  Ge11  1  0.84  -0.0  0.75  1.0

U U U Fe Fe Ge Ge Ge Ge Ge Ge Ge
U U U Fe Fe Ge Ge Ge Ge Ge Ge Ge 0 5 o o o 0 4 o o o 0 3 o - o 1 9 o o o 1 11 o o o 2 10 o o o 2 8 o o o 3 10 o o o 4 11 o o o 4 5 o o o 6 7 o o o 