data_FeHgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   133.02
_cell_angle_beta   133.02
_cell_angle_gamma   68.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgRu2
_chemical_formula_sum   'Fe1 Hg1 Ru2'
_cell_volume   58.44
_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  0.92  0.0  0.99  1.0
  Ru  Ru2  1  0.0  0.0  0.97  1.0
  Ru  Ru3  1  0.0  0.92  0.99  1.0

data_FeHgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   4.81
_cell_angle_alpha   113.49
_cell_angle_beta   113.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgRu2
_chemical_formula_sum   'Fe1 Hg1 Ru2'
_cell_volume   58.44
_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  0.01  0.0  0.93  1.0
  Ru  Ru2  1  0.03  0.0  0.03  1.0
  Ru  Ru3  1  0.93  0.92  0.93  1.0

Fe Hg Ru Ru
Fe Hg Ru Ru 0 2 o o - 0 1 - o - 0 3 o - - 