data_InFe2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.46
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Hg
_chemical_formula_sum   'In1 Fe2 Hg1'
_cell_volume   67.74
_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  0.98  0.0  0.14  1.0
  Fe  Fe0  1  0.49  0.23  0.1  1.0
  Fe  Fe1  1  0.54  0.0  0.32  1.0
  Hg  Hg2  1  0.1  0.23  0.31  1.0

data_InFe2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.46
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Hg
_chemical_formula_sum   'In1 Fe2 Hg1'
_cell_volume   67.74
_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  0.98  0.0  0.14  1.0
  Fe  Fe1  1  0.49  0.23  0.1  1.0
  Fe  Fe2  1  0.54  0.0  0.32  1.0
  Hg  Hg3  1  0.1  0.23  0.31  1.0

In Fe Fe Hg