data_ReTeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   8.04
_cell_length_c   3.19
_cell_angle_alpha   84.56
_cell_angle_beta   73.11
_cell_angle_gamma   22.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTeCl
_chemical_formula_sum   'Re1 Te1 Cl1'
_cell_volume   68.48
_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  0.56  0.79  0.41  1.0
  Te  Te2  1  0.56  0.79  0.74  1.0
  Cl  Cl0  1  0.56  0.79  0.62  1.0

data_ReTeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.12
_cell_length_b   15.77
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   119.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTeCl
_chemical_formula_sum   'Re2 Te2 Cl2'
_cell_volume   136.97
_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  0.41  0.0  0.97  1.0
  Te  Te1  2  0.24  0.5  0.3  1.0
  Cl  Cl2  2  0.12  0.5  0.18  1.0

Re Te Cl
Re Te Cl 0 2 o o o 1 2 o o o 