data_CuTeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTeRh2
_chemical_formula_sum   'Cu1 Te1 Rh2'
_cell_volume   67.95
_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
  Cu  Cu0  1  0.0  0.0  0.46  1.0
  Te  Te3  1  0.02  0.0  0.79  1.0
  Rh  Rh1  1  0.02  0.0  0.06  1.0
  Rh  Rh2  1  0.0  0.0  0.69  1.0

data_CuTeRh2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.03
_cell_length_b   4.6
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   CuTeRh2
_chemical_formula_sum   'Cu2 Te2 Rh4'
_cell_volume   135.9
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Cu  Cu0  2  0.0  0.0  0.54  1.0
  Te  Te1  2  0.0  0.0  0.21  1.0
  Rh  Rh2  2  0.0  0.0  0.31  1.0
  Rh  Rh3  2  0.0  0.0  0.94  1.0

Cu Te Rh Rh
Cu Te Rh Rh 0 3 o o o 1 3 o o o 1 2 o o + 