data_Cu2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.29
_cell_angle_alpha   108.8
_cell_angle_beta   108.8
_cell_angle_gamma   43.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeRh
_chemical_formula_sum   'Cu2 Te1 Rh1'
_cell_volume   62.94
_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  0.02  0.0  0.2  1.0
  Cu  Cu1  1  0.31  0.0  0.83  1.0
  Te  Te3  1  0.05  0.0  0.84  1.0
  Rh  Rh2  1  0.63  0.0  0.17  1.0

data_Cu2TeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.29
_cell_length_c   4.76
_cell_angle_alpha   108.8
_cell_angle_beta   111.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeRh
_chemical_formula_sum   'Cu2 Te1 Rh1'
_cell_volume   62.94
_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  0.2  0.02  1.0
  Cu  Cu1  1  0.0  0.83  0.31  1.0
  Te  Te2  1  0.0  0.84  0.05  1.0
  Rh  Rh3  1  0.0  0.17  0.63  1.0

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