data_TeRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.5
_cell_angle_alpha   95.62
_cell_angle_beta   95.62
_cell_angle_gamma   33.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu2Cl
_chemical_formula_sum   'Te1 Ru2 Cl1'
_cell_volume   76.0
_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  Te3  1  0.77  0.0  0.03  1.0
  Ru  Ru1  1  0.28  0.0  0.06  1.0
  Ru  Ru2  1  0.26  0.0  0.88  1.0
  Cl  Cl0  1  1.0  0.0  0.75  1.0

data_TeRu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.5
_cell_length_c   5.56
_cell_angle_alpha   95.62
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu2Cl
_chemical_formula_sum   'Te1 Ru2 Cl1'
_cell_volume   76.0
_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  0.03  0.77  1.0
  Ru  Ru1  1  0.0  0.06  0.28  1.0
  Ru  Ru2  1  0.0  0.88  0.26  1.0
  Cl  Cl3  1  0.0  0.75  1.0  1.0

Te Ru Ru Cl
Te Ru Ru Cl 0 3 o o - 1 2 o o - 2 3 - o o 