data_HgRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   4.74
_cell_angle_alpha   100.56
_cell_angle_beta   100.56
_cell_angle_gamma   27.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2Cl
_chemical_formula_sum   'Hg1 Rh2 Cl1'
_cell_volume   82.47
_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  0.82  0.0  0.43  1.0
  Rh  Rh2  1  0.86  0.0  0.86  1.0
  Rh  Rh3  1  0.0  0.0  0.12  1.0
  Cl  Cl0  1  0.01  0.0  0.58  1.0

data_HgRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.74
_cell_length_c   6.19
_cell_angle_alpha   100.56
_cell_angle_beta   103.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2Cl
_chemical_formula_sum   'Hg1 Rh2 Cl1'
_cell_volume   82.47
_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  0.43  0.82  1.0
  Rh  Rh1  1  0.0  0.12  0.0  1.0
  Rh  Rh2  1  0.0  0.86  0.86  1.0
  Cl  Cl3  1  0.0  0.58  0.01  1.0

Hg Rh Rh Cl