data_Ge2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   40.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PW
_chemical_formula_sum   'Ge2 P1 W1'
_cell_volume   65.64
_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  0.33  1.0
  Ge  Ge1  1  0.08  0.0  0.63  1.0
  P  P2  1  0.0  0.0  0.75  1.0
  W  W3  1  0.08  0.0  0.01  1.0

data_Ge2PW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.16
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PW
_chemical_formula_sum   'Ge2 P1 W1'
_cell_volume   65.64
_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  0.37  0.08  0.37  1.0
  Ge  Ge1  1  0.67  0.0  0.67  1.0
  P  P2  1  0.25  0.0  0.25  1.0
  W  W3  1  0.99  0.08  0.99  1.0

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