data_Ge2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   135.94
_cell_angle_beta   135.94
_cell_angle_gamma   64.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsW
_chemical_formula_sum   'Ge2 As1 W1'
_cell_volume   68.65
_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  0.97  0.0  0.22  1.0
  Ge  Ge2  1  0.0  0.97  0.22  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.44  1.0

data_Ge2AsW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   122.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge2AsW
_chemical_formula_sum   'Ge4 As2 W2'
_cell_volume   137.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.26  0.48  0.74  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.06  0.5  0.56  1.0

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