# generated using pymatgen
data_ReCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.35824300
_cell_length_b   9.55781300
_cell_length_c   12.87671882
_cell_angle_alpha   70.18845552
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReCl5
_chemical_formula_sum   'Re8 Cl40'
_cell_volume   1430.94700572
_cell_formula_units_Z   8
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  0.62764500  0.11563800  0.68617300  1.0
  Re  Re1  1  0.12764500  0.88436200  0.81382700  1.0
  Re  Re2  1  0.37235500  0.88436200  0.31382700  1.0
  Re  Re3  1  0.87235500  0.11563800  0.18617300  1.0
  Re  Re4  1  0.62397000  0.69601600  0.79206700  1.0
  Re  Re5  1  0.12397000  0.30398400  0.70793300  1.0
  Re  Re6  1  0.37603000  0.30398400  0.20793300  1.0
  Re  Re7  1  0.87603000  0.69601600  0.29206700  1.0
  Cl  Cl8  1  0.73163000  0.71296300  0.64408300  1.0
  Cl  Cl9  1  0.23163000  0.28703700  0.85591700  1.0
  Cl  Cl10  1  0.26837000  0.28703700  0.35591700  1.0
  Cl  Cl11  1  0.76837000  0.71296300  0.14408300  1.0
  Cl  Cl12  1  0.23318800  0.90612400  0.95287300  1.0
  Cl  Cl13  1  0.73318800  0.09387600  0.54712700  1.0
  Cl  Cl14  1  0.76681200  0.09387600  0.04712700  1.0
  Cl  Cl15  1  0.26681200  0.90612400  0.45287300  1.0
  Cl  Cl16  1  0.98145300  0.90732400  0.16488800  1.0
  Cl  Cl17  1  0.48145300  0.09267600  0.33511200  1.0
  Cl  Cl18  1  0.01854700  0.09267600  0.83511200  1.0
  Cl  Cl19  1  0.51854700  0.90732400  0.66488800  1.0
  Cl  Cl20  1  0.98119900  0.71789100  0.43129400  1.0
  Cl  Cl21  1  0.48119900  0.28210900  0.06870600  1.0
  Cl  Cl22  1  0.01880100  0.28210900  0.56870600  1.0
  Cl  Cl23  1  0.51880100  0.71789100  0.93129400  1.0
  Cl  Cl24  1  0.48346100  0.71489200  0.43069700  1.0
  Cl  Cl25  1  0.98346100  0.28510800  0.06930300  1.0
  Cl  Cl26  1  0.51653900  0.28510800  0.56930300  1.0
  Cl  Cl27  1  0.01653900  0.71489200  0.93069700  1.0
  Cl  Cl28  1  0.48960500  0.46872800  0.24150900  1.0
  Cl  Cl29  1  0.98960500  0.53127200  0.25849100  1.0
  Cl  Cl30  1  0.51039500  0.53127200  0.75849100  1.0
  Cl  Cl31  1  0.01039500  0.46872800  0.74150900  1.0
  Cl  Cl32  1  0.47858400  0.90460300  0.16441900  1.0
  Cl  Cl33  1  0.97858400  0.09539700  0.33558100  1.0
  Cl  Cl34  1  0.52141600  0.09539700  0.83558100  1.0
  Cl  Cl35  1  0.02141600  0.90460300  0.66441900  1.0
  Cl  Cl36  1  0.76587600  0.90404000  0.31224600  1.0
  Cl  Cl37  1  0.26587600  0.09596000  0.18775400  1.0
  Cl  Cl38  1  0.23412400  0.09596000  0.68775400  1.0
  Cl  Cl39  1  0.73412400  0.90404000  0.81224600  1.0
  Cl  Cl40  1  0.76645700  0.52602100  0.41021500  1.0
  Cl  Cl41  1  0.26645700  0.47397900  0.08978500  1.0
  Cl  Cl42  1  0.23354300  0.47397900  0.58978500  1.0
  Cl  Cl43  1  0.73354300  0.52602100  0.91021500  1.0
  Cl  Cl44  1  0.26036900  0.71786600  0.28054300  1.0
  Cl  Cl45  1  0.76036900  0.28213400  0.21945700  1.0
  Cl  Cl46  1  0.73963100  0.28213400  0.71945700  1.0
  Cl  Cl47  1  0.23963100  0.71786600  0.78054300  1.0