data_GeBW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBW2
_chemical_formula_sum   'Ge1 B1 W2'
_cell_volume   55.91
_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
  Ge  Ge1  1  0.63  0.0  0.18  1.0
  B  B0  1  0.0  0.0  0.66  1.0
  W  W2  1  0.0  0.0  0.32  1.0
  W  W3  1  0.63  0.0  0.15  1.0

data_GeBW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBW2
_chemical_formula_sum   'Ge1 B1 W2'
_cell_volume   55.91
_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
  Ge  Ge0  1  0.63  0.0  0.18  1.0
  B  B1  1  0.0  0.0  0.66  1.0
  W  W2  1  0.0  0.0  0.32  1.0
  W  W3  1  0.63  0.0  0.15  1.0

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