data_TcRhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRhCl
_chemical_formula_sum   'Tc1 Rh1 Cl1'
_cell_volume   44.33
_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
  Tc  Tc2  1  0.0  0.34  0.38  1.0
  Rh  Rh1  1  0.03  0.17  0.94  1.0
  Cl  Cl0  1  0.0  0.0  0.9  1.0

data_TcRhCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.06
_cell_length_c   4.06
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRhCl
_chemical_formula_sum   'Tc1 Rh1 Cl1'
_cell_volume   44.33
_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
  Tc  Tc0  1  0.38  0.0  0.34  1.0
  Rh  Rh1  1  0.94  0.03  0.17  1.0
  Cl  Cl2  1  0.9  0.0  0.0  1.0

Tc Rh Cl
Tc Rh Cl 0 1 o o - 0 1 o o o 1 2 o o o 