data_Tc2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2TeRh
_chemical_formula_sum   'Tc2 Te1 Rh1'
_cell_volume   63.68
_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
  Tc  Tc1  1  0.58  0.61  0.56  1.0
  Tc  Tc2  1  0.58  0.39  0.56  1.0
  Te  Te3  1  0.16  0.0  0.0  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_Tc2TeRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.12
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tc2TeRh
_chemical_formula_sum   'Tc2 Te1 Rh1'
_cell_volume   63.69
_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
  Tc  Tc0  2  0.56  0.39  0.58  1.0
  Te  Te1  1  -0.0  0.0  0.16  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

Tc Tc Te Rh
Tc Tc Te Rh 0 1 o o o 2 3 o o o 