data_Fe2HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   135.74
_cell_angle_beta   135.74
_cell_angle_gamma   64.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2HgMo
_chemical_formula_sum   'Fe2 Hg1 Mo1'
_cell_volume   56.29
_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  0.84  0.07  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.84  0.0  0.07  1.0
  Mo  Mo3  1  0.0  0.0  0.14  1.0

data_Fe2HgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   4.89
_cell_angle_alpha   112.13
_cell_angle_beta   112.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2HgMo
_chemical_formula_sum   'Fe2 Hg1 Mo1'
_cell_volume   56.29
_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
  Fe  Fe1  1  0.77  0.84  0.77  1.0
  Hg  Hg2  1  0.93  0.0  0.77  1.0
  Mo  Mo3  1  0.86  0.0  0.86  1.0

Fe Fe Hg Mo