data_FeHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   4.18
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgAs2
_chemical_formula_sum   'Fe1 Hg1 As2'
_cell_volume   75.06
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.85  0.09  0.0  1.0
  As  As0  1  0.85  0.0  0.42  1.0
  As  As1  1  0.0  0.09  0.42  1.0

data_FeHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.18
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgAs2
_chemical_formula_sum   'Fe1 Hg1 As2'
_cell_volume   75.06
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.85  0.09  0.0  1.0
  As  As2  1  0.0  0.09  0.42  1.0
  As  As3  1  0.85  0.0  0.42  1.0

Fe Hg As As
Fe Hg As As 0 1 - o o 2 3 + o o 