data_CrHgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.21
_cell_length_c   3.18
_cell_angle_alpha   77.51
_cell_angle_beta   77.03
_cell_angle_gamma   25.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHgBi
_chemical_formula_sum   'Cr1 Hg1 Bi1'
_cell_volume   69.43
_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
  Cr  Cr1  1  0.23  0.27  0.2  1.0
  Hg  Hg2  1  0.23  0.27  0.03  1.0
  Bi  Bi0  1  0.23  0.27  0.48  1.0

data_CrHgBi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.18
_cell_length_b   13.72
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   CrHgBi
_chemical_formula_sum   'Cr2 Hg2 Bi2'
_cell_volume   138.89
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.47  1.0
  Hg  Hg1  2  0.0  0.5  0.31  1.0
  Bi  Bi2  2  0.0  0.5  0.75  1.0

Cr Hg Bi