data_CrHg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.02
_cell_angle_alpha   101.02
_cell_angle_beta   101.02
_cell_angle_gamma   115.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg2Rh
_chemical_formula_sum   'Cr1 Hg2 Rh1'
_cell_volume   73.34
_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  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.89  0.27  0.41  1.0
  Hg  Hg2  1  0.89  0.73  0.41  1.0
  Rh  Rh3  1  0.86  0.0  0.0  1.0

data_CrHg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   115.5
_cell_angle_beta   101.02
_cell_angle_gamma   101.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg2Rh
_chemical_formula_sum   'Cr1 Hg2 Rh1'
_cell_volume   73.34
_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  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.41  0.89  0.73  1.0
  Hg  Hg2  1  0.41  0.89  0.27  1.0
  Rh  Rh3  1  0.0  0.86  0.0  1.0

Cr Hg Hg Rh
Cr Hg Hg Rh 0 3 - o o 0 2 - - o 0 2 - - - 1 3 o o o 2 3 o + o 2 3 o + + 