data_Hg2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   9.83
_cell_angle_alpha   19.42
_cell_angle_beta   19.42
_cell_angle_gamma   19.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TeRh
_chemical_formula_sum   'Hg2 Te1 Rh1'
_cell_volume   91.91
_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  0.0  0.33  1.0
  Hg  Hg1  1  0.0  0.0  0.61  1.0
  Te  Te3  1  0.0  0.0  0.47  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Hg2TeRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   3.32
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   101.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2TeRh
_chemical_formula_sum   'Hg4 Te2 Rh2'
_cell_volume   183.82
_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
  Hg  Hg0  2  0.0  0.0  0.39  1.0
  Hg  Hg1  2  0.0  0.0  0.67  1.0
  Te  Te2  2  0.0  0.0  0.53  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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