data_FeHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Te
_chemical_formula_sum   'Fe1 Hg2 Te1'
_cell_volume   96.86
_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  0.88  0.34  1.0
  Hg  Hg2  1  0.84  0.12  0.34  1.0
  Te  Te3  1  0.84  0.0  0.0  1.0

data_FeHg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Te
_chemical_formula_sum   'Fe1 Hg2 Te1'
_cell_volume   96.86
_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  0.12  0.34  1.0
  Hg  Hg2  1  0.84  0.88  0.34  1.0
  Te  Te3  1  0.84  0.0  0.0  1.0

Fe Hg Hg Te