data_Hg2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   146.99
_cell_angle_beta   131.39
_cell_angle_gamma   60.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeW
_chemical_formula_sum   'Hg2 Ge1 W1'
_cell_volume   80.65
_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
  Hg  Hg1  1  0.0  0.4  0.97  1.0
  Hg  Hg2  1  0.0  0.0  0.76  1.0
  Ge  Ge0  1  0.0  0.0  0.2  1.0
  W  W3  1  0.0  0.4  0.25  1.0

data_Hg2GeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.81
_cell_length_c   5.84
_cell_angle_alpha   114.3
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeW
_chemical_formula_sum   'Hg2 Ge1 W1'
_cell_volume   80.65
_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
  Hg  Hg0  1  0.0  0.76  0.76  1.0
  Hg  Hg1  1  0.6  0.57  0.57  1.0
  Ge  Ge2  1  0.0  0.2  0.2  1.0
  W  W3  1  0.6  0.84  0.84  1.0

Hg Hg Ge W