data_Re2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeCl
_chemical_formula_sum   'Re2 Te1 Cl1'
_cell_volume   71.0
_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
  Re  Re1  1  0.48  0.0  0.2  1.0
  Re  Re2  1  0.48  0.0  1.0  1.0
  Te  Te3  1  0.0  0.0  0.6  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Re2TeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.0
_cell_length_b   5.14
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2TeCl
_chemical_formula_sum   'Re4 Te2 Cl2'
_cell_volume   142.03
_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
  Re  Re0  2  0.02  0.5  0.0  1.0
  Re  Re1  2  0.02  0.5  0.8  1.0
  Te  Te2  2  0.0  0.0  0.4  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Re Re Te Cl
Re Re Te Cl 0 1 o o - 1 3 o o + 1 3 + o + 2 2 + + o 2 2 o + o 2 2 + o o 