data_ReTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTe2Cl
_chemical_formula_sum   'Re1 Te2 Cl1'
_cell_volume   98.84
_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  0.57  0.0  0.99  1.0
  Te  Te2  1  0.0  0.0  0.76  1.0
  Te  Te3  1  0.57  0.0  0.49  1.0
  Cl  Cl0  1  0.0  0.0  0.85  1.0

data_ReTe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.18
_cell_length_b   5.45
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTe2Cl
_chemical_formula_sum   'Re2 Te4 Cl2'
_cell_volume   197.72
_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  0.43  0.0  0.01  1.0
  Te  Te1  2  0.0  0.0  0.24  1.0
  Te  Te2  2  0.43  0.0  0.51  1.0
  Cl  Cl3  2  0.0  0.0  0.15  1.0

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