data_Fe2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   127.3
_cell_angle_beta   127.3
_cell_angle_gamma   77.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeW
_chemical_formula_sum   'Fe2 Ge1 W1'
_cell_volume   50.57
_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  0.93  0.69  1.0
  Fe  Fe1  1  0.93  0.0  0.69  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.39  1.0

data_Fe2GeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   128.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2GeW
_chemical_formula_sum   'Fe4 Ge2 W2'
_cell_volume   101.15
_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  0.03  0.03  0.76  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.39  1.0

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