data_FeHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.06
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   93.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2W
_chemical_formula_sum   'Fe1 Hg2 W1'
_cell_volume   69.62
_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  0.22  0.0  0.47  1.0
  Hg  Hg1  1  0.55  0.53  0.36  1.0
  Hg  Hg2  1  0.36  0.0  0.05  1.0
  W  W3  1  0.73  0.53  0.23  1.0

data_FeHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.06
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   93.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2W
_chemical_formula_sum   'Fe1 Hg2 W1'
_cell_volume   69.62
_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  0.22  0.0  0.47  1.0
  Hg  Hg1  1  0.36  0.0  0.05  1.0
  Hg  Hg2  1  0.55  0.53  0.36  1.0
  W  W3  1  0.73  0.53  0.23  1.0

Fe Hg Hg W