data_FeHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   4.97
_cell_angle_alpha   111.03
_cell_angle_beta   111.03
_cell_angle_gamma   26.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Cl
_chemical_formula_sum   'Fe1 Hg2 Cl1'
_cell_volume   94.15
_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  Fe1  1  0.74  0.0  0.21  1.0
  Hg  Hg2  1  0.88  0.0  0.4  1.0
  Hg  Hg3  1  0.78  0.0  0.34  1.0
  Cl  Cl0  1  0.76  0.0  0.99  1.0

data_FeHg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.97
_cell_length_c   6.81
_cell_angle_alpha   111.03
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Cl
_chemical_formula_sum   'Fe1 Hg2 Cl1'
_cell_volume   94.15
_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  0.21  0.74  1.0
  Hg  Hg1  1  0.0  0.34  0.78  1.0
  Hg  Hg2  1  0.0  0.4  0.88  1.0
  Cl  Cl3  1  0.0  0.99  0.76  1.0

Fe Hg Hg Cl