data_Ge2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   141.92
_cell_angle_beta   122.47
_cell_angle_gamma   71.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PW
_chemical_formula_sum   'Ge2 P1 W1'
_cell_volume   63.46
_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  0.0  0.0  0.09  1.0
  Ge  Ge1  1  0.63  0.0  0.13  1.0
  P  P2  1  0.0  0.0  0.05  1.0
  W  W3  1  0.0  0.4  0.85  1.0

data_Ge2PW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.8
_cell_length_c   4.99
_cell_angle_alpha   118.77
_cell_angle_beta   109.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PW
_chemical_formula_sum   'Ge2 P1 W1'
_cell_volume   63.46
_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  0.5  0.87  0.5  1.0
  Ge  Ge1  1  0.91  0.91  0.91  1.0
  P  P2  1  0.95  0.95  0.95  1.0
  W  W3  1  0.15  0.55  0.55  1.0

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