data_HgGe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.81
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2W
_chemical_formula_sum   'Hg1 Ge2 W1'
_cell_volume   73.92
_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
  Hg  Hg2  1  0.0  0.41  0.66  1.0
  Ge  Ge0  1  0.44  0.0  0.66  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  W  W3  1  0.44  0.41  0.0  1.0

data_HgGe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.81
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2W
_chemical_formula_sum   'Hg1 Ge2 W1'
_cell_volume   73.92
_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
  Hg  Hg0  1  -0.0  0.41  0.66  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.44  0.0  0.66  1.0
  W  W3  1  0.44  0.41  -0.0  1.0

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