data_CoReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReCl2
_chemical_formula_sum   'Co1 Re1 Cl2'
_cell_volume   57.55
_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  0.0  1.0
  Re  Re3  1  0.08  0.0  0.0  1.0
  Cl  Cl0  1  0.54  0.43  0.49  1.0
  Cl  Cl1  1  0.54  0.57  0.49  1.0

data_CoReCl2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   2.98
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   CoReCl2
_chemical_formula_sum   'Co1 Re1 Cl2'
_cell_volume   57.55
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.92  1.0
  Cl  Cl2  2  0.5  0.43  0.46  1.0

Co Re Cl Cl
Co Re Cl Cl 0 1 o o o 2 3 o o o 