data_Al2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.6
_cell_length_b   9.6
_cell_length_c   9.6
_cell_angle_alpha   17.05
_cell_angle_beta   17.05
_cell_angle_gamma   17.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeW
_chemical_formula_sum   'Al2 Ge1 W1'
_cell_volume   66.42
_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
  Al  Al0  1  0.0  0.0  0.43  1.0
  Al  Al1  1  0.0  0.0  0.95  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.19  1.0

data_Al2GeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   99.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2GeW
_chemical_formula_sum   'Al4 Ge2 W2'
_cell_volume   132.85
_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
  Al  Al0  2  0.0  0.0  0.05  1.0
  Al  Al1  2  0.0  0.0  0.57  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.81  1.0

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