data_NbGeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   142.62
_cell_angle_beta   129.42
_cell_angle_gamma   64.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeW2
_chemical_formula_sum   'Nb1 Ge1 W2'
_cell_volume   65.19
_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
  Nb  Nb1  1  0.67  0.0  0.24  1.0
  Ge  Ge0  1  0.0  0.0  0.76  1.0
  W  W2  1  0.0  0.0  0.44  1.0
  W  W3  1  0.0  0.22  0.16  1.0

data_NbGeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.45
_cell_length_c   5.2
_cell_angle_alpha   115.29
_cell_angle_beta   108.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeW2
_chemical_formula_sum   'Nb1 Ge1 W2'
_cell_volume   65.19
_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
  Nb  Nb0  1  0.43  0.76  0.43  1.0
  Ge  Ge1  1  0.24  0.24  0.24  1.0
  W  W2  1  0.56  0.56  0.56  1.0
  W  W3  1  0.84  0.07  0.07  1.0

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