data_CoReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   144.52
_cell_angle_beta   144.52
_cell_angle_gamma   51.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReCl2
_chemical_formula_sum   'Co1 Re1 Cl2'
_cell_volume   65.15
_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
  Co  Co2  1  0.0  0.0  0.23  1.0
  Re  Re3  1  0.0  0.77  0.61  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.77  0.0  0.61  1.0

data_CoReCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   5.79
_cell_angle_alpha   107.74
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReCl2
_chemical_formula_sum   'Co1 Re1 Cl2'
_cell_volume   65.15
_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
  Co  Co0  1  0.77  0.0  0.77  1.0
  Re  Re1  1  0.15  0.77  0.15  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.39  0.0  0.15  1.0

Co Re Cl Cl