data_HgGe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   142.06
_cell_angle_beta   125.79
_cell_angle_gamma   68.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2W
_chemical_formula_sum   'Hg1 Ge2 W1'
_cell_volume   72.98
_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  0.0  0.39  1.0
  Ge  Ge0  1  0.0  0.41  0.35  1.0
  Ge  Ge1  1  0.72  0.0  0.04  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_HgGe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.83
_cell_length_c   5.3
_cell_angle_alpha   117.1
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2W
_chemical_formula_sum   'Hg1 Ge2 W1'
_cell_volume   72.98
_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  0.61  0.61  0.61  1.0
  Ge  Ge1  1  0.65  0.07  0.07  1.0
  Ge  Ge2  1  0.68  0.96  0.68  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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