data_HgMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMo2W
_chemical_formula_sum   'Hg1 Mo2 W1'
_cell_volume   67.45
_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  0.88  0.0  0.0  1.0
  Mo  Mo1  1  0.44  0.96  0.44  1.0
  Mo  Mo2  1  0.44  0.04  0.44  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_HgMo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   109.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMo2W
_chemical_formula_sum   'Hg1 Mo2 W1'
_cell_volume   67.45
_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  0.88  0.0  1.0
  Mo  Mo1  1  0.44  0.44  0.04  1.0
  Mo  Mo2  1  0.44  0.44  0.96  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Hg Mo Mo W
Hg Mo Mo W 0 3 + o o 1 2 o + o 