data_SrFeHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.26
_cell_angle_alpha   110.44
_cell_angle_beta   110.44
_cell_angle_gamma   58.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeHg2
_chemical_formula_sum   'Sr1 Fe1 Hg2'
_cell_volume   103.43
_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
  Sr  Sr3  1  0.76  0.0  0.87  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.15  0.0  0.94  1.0
  Hg  Hg2  1  0.36  0.0  0.8  1.0

data_SrFeHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.6
_cell_length_c   6.26
_cell_angle_alpha   110.44
_cell_angle_beta   90.0
_cell_angle_gamma   119.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeHg2
_chemical_formula_sum   'Sr1 Fe1 Hg2'
_cell_volume   103.43
_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
  Sr  Sr0  1  0.0  0.24  0.13  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.64  0.2  1.0
  Hg  Hg3  1  0.0  0.85  0.06  1.0

Sr Fe Hg Hg