data_Ge2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   144.44
_cell_angle_beta   129.84
_cell_angle_gamma   62.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeW
_chemical_formula_sum   'Ge2 Te1 W1'
_cell_volume   76.87
_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  0.71  0.0  0.6  1.0
  Ge  Ge1  1  0.0  0.37  0.16  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.76  1.0

data_Ge2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.73
_cell_length_c   5.58
_cell_angle_alpha   115.08
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeW
_chemical_formula_sum   'Ge2 Te1 W1'
_cell_volume   76.87
_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  0.1  0.4  0.1  1.0
  Ge  Ge1  1  0.84  0.21  0.21  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.24  0.24  0.24  1.0

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