# generated using pymatgen
data_Co21(ReB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34109243
_cell_length_b   7.34108995
_cell_length_c   7.34107633
_cell_angle_alpha   60.00006009
_cell_angle_beta   60.00009333
_cell_angle_gamma   59.99994510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co21(ReB3)2
_chemical_formula_sum   'Co21 Re2 B6'
_cell_volume   279.74755738
_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  0.00000645  -0.00000796  0.00000126  1.0
  Co  Co1  1  0.61836755  0.61837536  0.14488445  1.0
  Co  Co2  1  0.61837164  0.14488353  0.61837100  1.0
  Co  Co3  1  0.14488414  0.61837670  0.61836811  1.0
  Co  Co4  1  0.61837150  0.61837890  0.61837313  1.0
  Co  Co5  1  0.38162967  0.38162856  0.85511371  1.0
  Co  Co6  1  0.38162710  0.85511612  0.38162875  1.0
  Co  Co7  1  0.85511245  0.38162737  0.38163055  1.0
  Co  Co8  1  0.38162704  0.38162602  0.38162607  1.0
  Co  Co9  1  0.00000408  -0.00000376  0.34223937  1.0
  Co  Co10  1  0.65776301  -0.00000443  0.34224243  1.0
  Co  Co11  1  0.00000165  0.65776512  0.34223503  1.0
  Co  Co12  1  0.65776022  0.34224032  0.00000052  1.0
  Co  Co13  1  0.00000332  0.34223400  0.00000160  1.0
  Co  Co14  1  0.00000239  0.34223724  0.65776086  1.0
  Co  Co15  1  0.34223629  0.65776499  0.00000008  1.0
  Co  Co16  1  0.34224036  -0.00000355  0.65776285  1.0
  Co  Co17  1  0.34223714  -0.00000294  0.00000280  1.0
  Co  Co18  1  0.00000160  0.99999435  0.65776154  1.0
  Co  Co19  1  0.00000030  0.65776618  -0.00000184  1.0
  Co  Co20  1  0.65776388  0.99999391  -0.00000145  1.0
  Re  Re21  1  0.75000955  0.75001169  0.75000881  1.0
  Re  Re22  1  0.24998141  0.24999854  0.24999076  1.0
  B  B23  1  0.72424614  0.72425652  0.27574934  1.0
  B  B24  1  0.27574616  0.72425842  0.27574753  1.0
  B  B25  1  0.72425364  0.27574263  0.27575061  1.0
  B  B26  1  0.27575064  0.27574567  0.72425184  1.0
  B  B27  1  0.72425409  0.27574319  0.72425227  1.0
  B  B28  1  0.27574659  0.72425832  0.72424702  1.0