data_Te2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   3.18
_cell_angle_alpha   98.26
_cell_angle_beta   98.26
_cell_angle_gamma   90.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2RuCl
_chemical_formula_sum   'Te2 Ru1 Cl1'
_cell_volume   91.28
_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  Te2  1  0.91  0.92  0.0  1.0
  Te  Te3  1  0.91  0.08  0.0  1.0
  Ru  Ru1  1  0.82  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Te2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   90.35
_cell_angle_beta   98.26
_cell_angle_gamma   98.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2RuCl
_chemical_formula_sum   'Te2 Ru1 Cl1'
_cell_volume   91.28
_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  0.91  0.08  1.0
  Te  Te1  1  0.0  0.91  0.92  1.0
  Ru  Ru2  1  0.0  0.82  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Te Te Ru Cl