data_CaHgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   146.21
_cell_angle_beta   146.21
_cell_angle_gamma   48.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHgRh
_chemical_formula_sum   'Ca1 Hg1 Rh1'
_cell_volume   65.01
_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
  Ca  Ca0  1  0.0  0.0  0.16  1.0
  Hg  Hg1  1  0.0  0.0  0.39  1.0
  Rh  Rh2  1  0.0  0.0  0.31  1.0

data_CaHgRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   114.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaHgRh
_chemical_formula_sum   'Ca2 Hg2 Rh2'
_cell_volume   130.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ca  Ca0  2  0.0  0.0  0.84  1.0
  Hg  Hg1  2  0.0  0.0  0.61  1.0
  Rh  Rh2  2  0.0  0.0  0.69  1.0

Ca Hg Rh
Ca Hg Rh 0 2 o o o 1 2 o o o 