data_HgBi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBi2Rh
_chemical_formula_sum   'Hg1 Bi2 Rh1'
_cell_volume   104.99
_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  Hg2  1  0.0  0.0  0.61  1.0
  Bi  Bi0  1  0.36  0.0  0.69  1.0
  Bi  Bi1  1  0.36  0.0  0.53  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_HgBi2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HgBi2Rh
_chemical_formula_sum   'Hg1 Bi2 Rh1'
_cell_volume   105.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Hg0  1  0.0  0.0  0.61  1.0
  Bi  Bi1  1  0.36  0.0  0.53  1.0
  Bi  Bi2  1  0.36  0.0  0.69  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Hg Bi Bi Rh
Hg Bi Bi Rh 0 2 o o o 0 1 o o o 0 3 o o + 1 2 o o o 1 3 + o + 1 3 o o + 3 3 o + o 3 3 + o o 