data_SnHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   144.82
_cell_angle_beta   133.16
_cell_angle_gamma   59.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHgAs2
_chemical_formula_sum   'Sn1 Hg1 As2'
_cell_volume   103.54
_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
  Sn  Sn3  1  0.0  0.0  0.91  1.0
  Hg  Hg2  1  0.0  0.5  0.39  1.0
  As  As0  1  0.0  0.5  0.66  1.0
  As  As1  1  0.0  0.0  0.38  1.0

data_SnHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   5.0
_cell_length_c   6.29
_cell_angle_alpha   113.42
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHgAs2
_chemical_formula_sum   'Sn1 Hg1 As2'
_cell_volume   103.54
_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
  Sn  Sn0  1  0.09  0.09  0.09  1.0
  Hg  Hg1  1  0.61  0.11  0.11  1.0
  As  As2  1  0.34  0.84  0.84  1.0
  As  As3  1  0.62  0.62  0.62  1.0

Sn Hg As As