# generated using pymatgen
data_CaScReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55129990
_cell_length_b   9.07734978
_cell_length_c   11.43365945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaScReB6
_chemical_formula_sum   'Ca4 Sc4 Re4 B24'
_cell_volume   368.57992008
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.00000000  0.32419985  0.41544533  1.0
  Ca  Ca1  1  0.00000000  0.67580015  0.58455467  1.0
  Ca  Ca2  1  0.00000000  0.82419985  0.08455467  1.0
  Ca  Ca3  1  0.00000000  0.17580015  0.91544533  1.0
  Sc  Sc4  1  0.00000000  0.94372958  0.36670285  1.0
  Sc  Sc5  1  0.00000000  0.05627042  0.63329715  1.0
  Sc  Sc6  1  0.00000000  0.44372958  0.13329715  1.0
  Sc  Sc7  1  0.00000000  0.55627042  0.86670285  1.0
  Re  Re8  1  0.00000000  0.64423124  0.31671503  1.0
  Re  Re9  1  0.00000000  0.35576876  0.68328497  1.0
  Re  Re10  1  0.00000000  0.14423124  0.18328497  1.0
  Re  Re11  1  0.00000000  0.85576876  0.81671503  1.0
  B  B12  1  0.50000000  0.55516581  0.43212709  1.0
  B  B13  1  0.50000000  0.44483419  0.56787291  1.0
  B  B14  1  0.50000000  0.05516581  0.06787291  1.0
  B  B15  1  0.50000000  0.94483419  0.93212709  1.0
  B  B16  1  0.50000000  0.75523397  0.41760461  1.0
  B  B17  1  0.50000000  0.24476603  0.58239539  1.0
  B  B18  1  0.50000000  0.25523397  0.08239539  1.0
  B  B19  1  0.50000000  0.74476603  0.91760461  1.0
  B  B20  1  0.50000000  0.79699390  0.26353561  1.0
  B  B21  1  0.50000000  0.20300610  0.73646439  1.0
  B  B22  1  0.50000000  0.29699390  0.23646439  1.0
  B  B23  1  0.50000000  0.70300610  0.76353561  1.0
  B  B24  1  0.50000000  0.63033154  0.18250643  1.0
  B  B25  1  0.50000000  0.36966846  0.81749357  1.0
  B  B26  1  0.50000000  0.13033154  0.31749357  1.0
  B  B27  1  0.50000000  0.86966846  0.68250643  1.0
  B  B28  1  0.50000000  0.98297284  0.21324059  1.0
  B  B29  1  0.50000000  0.01702716  0.78675941  1.0
  B  B30  1  0.50000000  0.48297284  0.28675941  1.0
  B  B31  1  0.50000000  0.51702716  0.71324059  1.0
  B  B32  1  0.50000000  0.59149340  0.02437815  1.0
  B  B33  1  0.50000000  0.40850660  0.97562185  1.0
  B  B34  1  0.50000000  0.09149340  0.47562185  1.0
  B  B35  1  0.50000000  0.90850660  0.52437815  1.0