data_HgRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   131.97
_cell_angle_beta   131.97
_cell_angle_gamma   70.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2Cl
_chemical_formula_sum   'Hg1 Rh2 Cl1'
_cell_volume   70.76
_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  0.06  0.0  0.07  1.0
  Rh  Rh2  1  0.0  0.0  0.15  1.0
  Rh  Rh3  1  0.0  0.06  0.07  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HgRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.07
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2Cl
_chemical_formula_sum   'Hg1 Rh2 Cl1'
_cell_volume   70.76
_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  0.07  0.01  0.01  1.0
  Rh  Rh1  1  0.01  0.07  0.01  1.0
  Rh  Rh2  1  0.15  0.15  0.15  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hg Rh Rh Cl