data_HgBRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.23
_cell_angle_alpha   116.31
_cell_angle_beta   116.31
_cell_angle_gamma   37.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBRh2
_chemical_formula_sum   'Hg1 B1 Rh2'
_cell_volume   59.82
_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  0.92  0.0  0.44  1.0
  B  B0  1  0.18  0.0  0.2  1.0
  Rh  Rh2  1  0.98  0.0  0.38  1.0
  Rh  Rh3  1  0.3  0.0  0.91  1.0

data_HgBRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.6
_cell_length_c   5.21
_cell_angle_alpha   64.01
_cell_angle_beta   73.41
_cell_angle_gamma   71.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBRh2
_chemical_formula_sum   'Hg1 B1 Rh2'
_cell_volume   59.82
_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  Hg0  1  0.0  0.49  0.44  1.0
  B  B1  1  0.0  0.98  0.2  1.0
  Rh  Rh2  1  0.0  0.39  0.91  1.0
  Rh  Rh3  1  0.0  0.61  0.38  1.0

Hg B Rh Rh
Hg B Rh Rh 0 2 o o o 1 2 - o o 1 3 o o - 