data_Fe2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.07
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeW
_chemical_formula_sum   'Fe2 Ge1 W1'
_cell_volume   54.04
_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  0.82  0.04  0.68  1.0
  Fe  Fe1  1  0.8  0.04  0.22  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.81  0.0  0.45  1.0

data_Fe2GeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.07
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeW
_chemical_formula_sum   'Fe2 Ge1 W1'
_cell_volume   54.04
_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  0.8  0.04  0.22  1.0
  Fe  Fe1  1  0.82  0.04  0.68  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.81  0.0  0.45  1.0

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