data_Cd2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeRh
_chemical_formula_sum   'Cd2 Te1 Rh1'
_cell_volume   90.95
_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
  Cd  Cd0  1  0.2  0.0  0.45  1.0
  Cd  Cd1  1  0.2  0.0  0.69  1.0
  Te  Te3  1  0.0  0.0  0.57  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Cd2TeRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2TeRh
_chemical_formula_sum   'Cd2 Te1 Rh1'
_cell_volume   90.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cd  Cd0  1  0.2  0.0  0.45  1.0
  Cd  Cd1  1  0.2  0.0  0.69  1.0
  Te  Te2  1  0.0  0.0  0.57  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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