data_InHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   5.38
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2W
_chemical_formula_sum   'In1 Hg2 W1'
_cell_volume   83.49
_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  In2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.12  0.69  0.9  1.0
  Hg  Hg1  1  0.7  0.69  0.38  1.0
  W  W3  1  0.41  0.0  0.64  1.0

data_InHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.27
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2W
_chemical_formula_sum   'In1 Hg2 W1'
_cell_volume   83.49
_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  In0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.3  0.62  0.31  1.0
  Hg  Hg2  1  0.88  0.1  0.31  1.0
  W  W3  1  0.59  0.36  0.0  1.0

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