data_Te2MoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.73
_cell_angle_alpha   100.72
_cell_angle_beta   100.72
_cell_angle_gamma   38.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2MoRh
_chemical_formula_sum   'Te2 Mo1 Rh1'
_cell_volume   78.06
_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
  Te  Te2  1  0.92  0.0  0.43  1.0
  Te  Te3  1  0.74  0.0  0.1  1.0
  Mo  Mo0  1  0.52  0.0  0.55  1.0
  Rh  Rh1  1  0.1  0.0  0.88  1.0

data_Te2MoRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.73
_cell_length_c   5.19
_cell_angle_alpha   100.72
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2MoRh
_chemical_formula_sum   'Te2 Mo1 Rh1'
_cell_volume   78.06
_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
  Te  Te0  1  0.0  0.1  0.74  1.0
  Te  Te1  1  0.0  0.43  0.92  1.0
  Mo  Mo2  1  0.0  0.55  0.52  1.0
  Rh  Rh3  1  0.0  0.88  0.1  1.0

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