data_HgSb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   7.46
_cell_length_c   7.46
_cell_angle_alpha   32.26
_cell_angle_beta   32.26
_cell_angle_gamma   32.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2As
_chemical_formula_sum   'Hg1 Sb2 As1'
_cell_volume   105.34
_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
  Hg  Hg1  1  0.0  0.0  0.03  1.0
  Sb  Sb2  1  0.0  0.0  0.21  1.0
  Sb  Sb3  1  0.0  0.0  0.18  1.0
  As  As0  1  0.0  0.0  0.61  1.0

data_HgSb2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.18
_cell_length_b   4.15
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgSb2As
_chemical_formula_sum   'Hg2 Sb4 As2'
_cell_volume   210.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hg  Hg0  2  0.0  0.0  0.97  1.0
  Sb  Sb1  2  0.0  0.0  0.79  1.0
  Sb  Sb2  2  0.0  0.0  0.82  1.0
  As  As3  2  0.0  0.0  0.39  1.0

Hg Sb Sb As