data_TcRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRh2Cl
_chemical_formula_sum   'Tc1 Rh2 Cl1'
_cell_volume   60.64
_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  Tc3  1  0.0  0.0  0.76  1.0
  Rh  Rh1  1  0.42  0.42  1.0  1.0
  Rh  Rh2  1  0.42  0.42  0.53  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TcRh2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcRh2Cl
_chemical_formula_sum   'Tc2 Rh4 Cl2'
_cell_volume   121.27
_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
  Tc  Tc0  2  0.0  0.0  0.76  1.0
  Rh  Rh1  2  0.42  0.0  0.53  1.0
  Rh  Rh2  2  0.42  0.0  1.0  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Tc Rh Rh Cl
Tc Rh Rh Cl 0 3 o o + 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o + 1 3 o + + 1 3 + o + 2 2 + o o 2 2 o + o 