data_HgMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   2.76
_cell_angle_alpha   99.94
_cell_angle_beta   99.94
_cell_angle_gamma   117.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoW2
_chemical_formula_sum   'Hg1 Mo1 W2'
_cell_volume   68.36
_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  0.82  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.95  0.33  0.3  1.0
  W  W3  1  0.95  0.67  0.3  1.0

data_HgMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.39
_cell_length_c   5.44
_cell_angle_alpha   116.95
_cell_angle_beta   99.94
_cell_angle_gamma   99.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoW2
_chemical_formula_sum   'Hg1 Mo1 W2'
_cell_volume   68.36
_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  0.0  0.82  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.63  0.33  0.27  1.0
  W  W3  1  0.98  0.67  0.62  1.0

Hg Mo W W