data_Fe2Ge2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   142.11
_cell_angle_beta   142.11
_cell_angle_gamma   54.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Ge2Mo
_chemical_formula_sum   'Fe2 Ge2 Mo1'
_cell_volume   68.77
_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  0.85  0.52  1.0
  Fe  Fe1  1  0.85  0.0  0.52  1.0
  Ge  Ge2  1  0.0  0.0  0.24  1.0
  Ge  Ge3  1  0.0  0.0  0.85  1.0
  Mo  Mo4  1  0.0  0.0  0.0  1.0

data_Fe2Ge2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   117.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2Ge2Mo
_chemical_formula_sum   'Fe4 Ge4 Mo2'
_cell_volume   137.55
_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  4  0.1  0.42  0.68  1.0
  Ge  Ge1  2  0.24  0.0  0.24  1.0
  Ge  Ge2  2  0.35  0.5  0.85  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Fe Fe Ge Ge Mo
Fe Fe Ge Ge Mo 0 1 - + o 2 4 o o o 3 4 o o + 