data_Re2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   111.48
_cell_angle_beta   111.48
_cell_angle_gamma   105.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeCl
_chemical_formula_sum   'Re2 Te1 Cl1'
_cell_volume   69.95
_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  0.53  0.0  0.36  1.0
  Re  Re2  1  0.0  0.0  0.72  1.0
  Te  Te3  1  0.0  0.53  0.36  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Re2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   105.53
_cell_angle_beta   111.48
_cell_angle_gamma   111.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeCl
_chemical_formula_sum   'Re2 Te1 Cl1'
_cell_volume   69.95
_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  Re0  1  0.36  0.53  0.0  1.0
  Re  Re1  1  0.72  0.0  0.0  1.0
  Te  Te2  1  0.36  0.0  0.53  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Re Re Te Cl