data_CuHgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.79
_cell_length_c   3.16
_cell_angle_alpha   77.3
_cell_angle_beta   75.83
_cell_angle_gamma   26.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgSb
_chemical_formula_sum   'Cu1 Hg1 Sb1'
_cell_volume   64.31
_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
  Cu  Cu0  1  0.17  0.3  0.84  1.0
  Hg  Hg1  1  0.17  0.3  0.24  1.0
  Sb  Sb2  1  0.17  0.3  0.65  1.0

data_CuHgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   12.87
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   133.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuHgSb
_chemical_formula_sum   'Cu2 Hg2 Sb2'
_cell_volume   128.63
_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
  Cu  Cu0  2  0.17  0.0  0.01  1.0
  Hg  Hg1  2  0.17  0.0  0.41  1.0
  Sb  Sb2  2  0.17  0.0  0.83  1.0

Cu Hg Sb
Cu Hg Sb 0 2 o o o 0 1 o o + 1 2 o o o 