data_GeW5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeW5
_chemical_formula_sum   'Ge1 W5'
_cell_volume   96.35
_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  0.0  1.0
  W  W1  1  0.01  0.03  0.02  1.0
  W  W2  1  0.01  0.08  0.0  1.0
  W  W3  1  0.01  0.0  0.02  1.0
  W  W4  1  0.01  0.92  0.0  1.0
  W  W5  1  0.01  0.97  0.02  1.0

data_GeW5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.03
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeW5
_chemical_formula_sum   'Ge1 W5'
_cell_volume   96.35
_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  0.0  1.0
  W  W1  1  0.0  0.98  0.99  1.0
  W  W2  1  0.03  0.98  0.02  1.0
  W  W3  1  0.08  0.0  0.07  1.0
  W  W4  1  0.92  0.0  0.91  1.0
  W  W5  1  0.97  0.98  0.96  1.0

Ge W W W W W