data_VGeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   4.25
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGeW2
_chemical_formula_sum   'V1 Ge1 W2'
_cell_volume   61.44
_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
  V  V1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.68  1.0
  W  W2  1  0.35  0.13  0.34  1.0
  W  W3  1  0.35  0.13  0.02  1.0

data_VGeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.25
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGeW2
_chemical_formula_sum   'V1 Ge1 W2'
_cell_volume   61.44
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.68  1.0
  W  W2  1  0.35  0.13  0.02  1.0
  W  W3  1  0.35  0.13  0.34  1.0

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