data_Ga2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   137.77
_cell_angle_beta   137.77
_cell_angle_gamma   61.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2HgW
_chemical_formula_sum   'Ga2 Hg1 W1'
_cell_volume   67.86
_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  0.92  0.3  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.92  0.0  0.3  1.0
  W  W3  1  0.0  0.0  0.59  1.0

data_Ga2HgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.34
_cell_angle_alpha   111.12
_cell_angle_beta   111.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2HgW
_chemical_formula_sum   'Ga2 Hg1 W1'
_cell_volume   67.86
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.63  0.92  0.63  1.0
  Hg  Hg2  1  0.7  0.0  0.63  1.0
  W  W3  1  0.41  0.0  0.41  1.0

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