data_GaHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.08
_cell_angle_alpha   95.18
_cell_angle_beta   95.18
_cell_angle_gamma   32.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgW2
_chemical_formula_sum   'Ga1 Hg1 W2'
_cell_volume   68.54
_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
  Ga  Ga0  1  0.56  0.0  0.54  1.0
  Hg  Hg1  1  0.1  0.0  0.73  1.0
  W  W2  1  1.0  0.0  0.11  1.0
  W  W3  1  0.18  0.0  0.2  1.0

data_GaHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.05
_cell_length_c   5.08
_cell_angle_alpha   95.18
_cell_angle_beta   90.0
_cell_angle_gamma   106.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgW2
_chemical_formula_sum   'Ga1 Hg1 W2'
_cell_volume   68.54
_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
  Ga  Ga0  1  0.0  0.44  0.46  1.0
  Hg  Hg1  1  0.0  0.9  0.27  1.0
  W  W2  1  0.0  0.0  0.89  1.0
  W  W3  1  0.0  0.82  0.8  1.0

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