data_HgMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.05
_cell_angle_alpha   98.94
_cell_angle_beta   98.94
_cell_angle_gamma   33.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoW2
_chemical_formula_sum   'Hg1 Mo1 W2'
_cell_volume   68.42
_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  0.38  0.0  0.48  1.0
  Mo  Mo1  1  0.95  0.0  0.2  1.0
  W  W2  1  0.76  0.0  0.98  1.0
  W  W3  1  0.82  0.0  0.79  1.0

data_HgMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.0
_cell_length_c   5.05
_cell_angle_alpha   98.94
_cell_angle_beta   90.0
_cell_angle_gamma   106.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoW2
_chemical_formula_sum   'Hg1 Mo1 W2'
_cell_volume   68.42
_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  0.62  0.52  1.0
  Mo  Mo1  1  0.0  0.05  0.8  1.0
  W  W2  1  0.0  0.18  0.21  1.0
  W  W3  1  0.0  0.24  0.02  1.0

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