data_CrHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.48
_cell_angle_alpha   92.33
_cell_angle_beta   92.33
_cell_angle_gamma   105.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHgBi2
_chemical_formula_sum   'Cr1 Hg1 Bi2'
_cell_volume   103.52
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.36  0.0  0.0  1.0
  Bi  Bi0  1  0.56  0.22  0.74  1.0
  Bi  Bi1  1  0.56  0.78  0.74  1.0

data_CrHgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   105.75
_cell_angle_beta   92.33
_cell_angle_gamma   92.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHgBi2
_chemical_formula_sum   'Cr1 Hg1 Bi2'
_cell_volume   103.52
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.36  0.0  1.0
  Bi  Bi2  1  0.74  0.56  0.22  1.0
  Bi  Bi3  1  0.74  0.56  0.78  1.0

Cr Hg Bi Bi
Cr Hg Bi Bi 0 1 o o o 0 3 - - - 1 3 o - - 1 2 o o - 2 3 o - o 