data_In2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09
_cell_length_b   10.09
_cell_length_c   10.09
_cell_angle_alpha   17.87
_cell_angle_beta   17.87
_cell_angle_gamma   17.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2HgW
_chemical_formula_sum   'In2 Hg1 W1'
_cell_volume   84.42
_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
  In  In1  1  0.0  0.0  0.18  1.0
  In  In2  1  0.0  0.0  0.6  1.0
  Hg  Hg0  1  0.0  0.0  0.89  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_In2HgW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   3.13
_cell_length_c   10.09
_cell_angle_alpha   90.0
_cell_angle_beta   100.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2HgW
_chemical_formula_sum   'In4 Hg2 W2'
_cell_volume   168.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  In  In0  2  0.0  0.0  0.4  1.0
  In  In1  2  0.0  0.0  0.82  1.0
  Hg  Hg2  2  0.0  0.0  0.11  1.0
  W  W3  2  0.0  0.0  0.0  1.0

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