data_GeAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   142.28
_cell_angle_beta   128.01
_cell_angle_gamma   65.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAs2W
_chemical_formula_sum   'Ge1 As2 W1'
_cell_volume   67.48
_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  Ge2  1  0.0  0.0  0.26  1.0
  As  As0  1  0.0  0.0  0.01  1.0
  As  As1  1  0.69  0.0  0.18  1.0
  W  W3  1  0.0  0.29  0.31  1.0

data_GeAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.57
_cell_length_c   5.22
_cell_angle_alpha   115.99
_cell_angle_beta   108.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAs2W
_chemical_formula_sum   'Ge1 As2 W1'
_cell_volume   67.48
_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  0.26  0.26  1.0
  As  As1  1  0.0  0.01  0.01  1.0
  As  As2  1  0.0  0.18  0.49  1.0
  W  W3  1  0.71  0.02  0.02  1.0

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