data_InCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   155.75
_cell_angle_beta   143.39
_cell_angle_gamma   44.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoHg2
_chemical_formula_sum   'In1 Co1 Hg2'
_cell_volume   84.06
_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  In3  1  0.0  0.0  0.49  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.47  0.0  0.33  1.0
  Hg  Hg2  1  0.0  0.2  0.16  1.0

data_InCoHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.4
_cell_length_c   7.01
_cell_angle_alpha   108.31
_cell_angle_beta   102.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoHg2
_chemical_formula_sum   'In1 Co1 Hg2'
_cell_volume   84.06
_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  0.49  0.49  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.33  0.86  1.0
  Hg  Hg3  1  0.8  0.96  0.96  1.0

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