data_NaTeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   134.31
_cell_angle_beta   134.31
_cell_angle_gamma   66.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTeRh2
_chemical_formula_sum   'Na1 Te1 Rh2'
_cell_volume   68.33
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.99  0.15  1.0
  Rh  Rh1  1  0.99  0.0  0.15  1.0
  Rh  Rh2  1  0.0  0.0  0.29  1.0

data_NaTeRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   123.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTeRh2
_chemical_formula_sum   'Na2 Te2 Rh4'
_cell_volume   136.67
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.35  0.5  0.85  1.0
  Rh  Rh2  2  0.21  0.5  0.71  1.0
  Rh  Rh3  2  0.35  0.5  0.85  1.0

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