data_TeRhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   3.69
_cell_length_c   27.76
_cell_angle_alpha   90.0
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRhCl
_chemical_formula_sum   'Te2 Rh2 Cl2'
_cell_volume   662.45
_cell_formula_units_Z   2
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  0.4  0.0  0.06  1.0
  Te  Te1  1  0.34  0.5  0.16  1.0
  Rh  Rh2  1  0.63  0.5  0.11  1.0
  Rh  Rh3  1  0.12  0.0  0.11  1.0
  Cl  Cl4  1  0.9  0.5  0.06  1.0
  Cl  Cl5  1  0.84  0.0  0.16  1.0

Te Te Rh Rh Cl Cl 0 3 o o o 0 2 o - o 0 2 o o o 1 3 o o o 1 3 o + o 1 2 o o o 2 5 o o o 2 5 o + o 2 4 o o o 3 4 - - o 3 4 - o o 3 5 - o o 
data_TeRhCl
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   6.63
_cell_length_b   3.69
_cell_length_c   27.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   TeRhCl
_chemical_formula_sum   'Te2 Rh2 Cl2'
_cell_volume   662.45
_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, y+1/2, -z'
  4  'x, -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
  Te  Te0  2  0.08  0.75  0.55  1.0
  Rh  Rh1  2  0.26  0.25  0.5  1.0
  Cl  Cl2  2  0.42  0.75  0.45  1.0
