data_NbGeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   2.82
_cell_angle_alpha   102.42
_cell_angle_beta   102.42
_cell_angle_gamma   116.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeW2
_chemical_formula_sum   'Nb1 Ge1 W2'
_cell_volume   65.58
_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  0.8  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.82  0.72  0.29  1.0
  W  W3  1  0.82  0.28  0.29  1.0

data_NbGeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.12
_cell_length_c   5.35
_cell_angle_alpha   116.89
_cell_angle_beta   102.42
_cell_angle_gamma   95.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeW2
_chemical_formula_sum   'Nb1 Ge1 W2'
_cell_volume   65.58
_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  -0.0  0.0  0.8  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.72  0.54  1.0
  W  W3  1  0.57  0.28  0.1  1.0

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