data_ZrGe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   136.12
_cell_angle_beta   136.12
_cell_angle_gamma   63.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2W
_chemical_formula_sum   'Zr1 Ge2 W1'
_cell_volume   69.34
_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
  Zr  Zr3  1  0.0  0.0  0.47  1.0
  Ge  Ge0  1  0.0  0.97  0.24  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.97  0.0  0.24  1.0

data_ZrGe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   5.27
_cell_angle_alpha   111.94
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2W
_chemical_formula_sum   'Zr1 Ge2 W1'
_cell_volume   69.34
_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
  Zr  Zr0  1  0.53  0.0  0.53  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.73  0.97  0.73  1.0
  W  W3  1  0.76  0.0  0.73  1.0

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