data_ReTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   154.13
_cell_angle_beta   136.5
_cell_angle_gamma   51.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTeCl2
_chemical_formula_sum   'Re1 Te1 Cl2'
_cell_volume   96.87
_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  Re2  1  0.0  0.0  0.19  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.54  0.0  0.28  1.0
  Cl  Cl1  1  0.0  0.54  0.91  1.0

data_ReTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.09
_cell_length_c   6.87
_cell_angle_alpha   111.75
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTeCl2
_chemical_formula_sum   'Re1 Te1 Cl2'
_cell_volume   96.87
_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  0.0  0.19  0.19  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.28  0.74  1.0
  Cl  Cl3  1  0.46  0.37  0.37  1.0

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