data_FeHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Sb
_chemical_formula_sum   'Fe1 Hg2 Sb1'
_cell_volume   84.46
_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  0.35  0.12  0.84  1.0
  Hg  Hg2  1  0.35  0.88  0.84  1.0
  Sb  Sb3  1  0.7  0.0  0.0  1.0

data_FeHg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   114.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Sb
_chemical_formula_sum   'Fe1 Hg2 Sb1'
_cell_volume   84.46
_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  0.84  0.35  0.88  1.0
  Hg  Hg2  1  0.84  0.35  0.12  1.0
  Sb  Sb3  1  0.0  0.7  0.0  1.0

Fe Hg Hg Sb