# generated using pymatgen
data_Ca3U5(ReB6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63502070
_cell_length_b   9.30089244
_cell_length_c   11.40553277
_cell_angle_alpha   89.99854074
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3U5(ReB6)4
_chemical_formula_sum   'Ca3 U5 Re4 B24'
_cell_volume   385.60893385
_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
  Ca  Ca0  1  0.00000000  0.33967706  0.40829809  1.0
  Ca  Ca1  1  0.00000000  0.66003807  0.59035518  1.0
  Ca  Ca2  1  0.00000000  0.83722582  0.09316646  1.0
  U  U3  1  0.00000000  0.16125672  0.90881824  1.0
  U  U4  1  0.00000000  0.95531132  0.39564522  1.0
  U  U5  1  0.00000000  0.04242482  0.60290903  1.0
  U  U6  1  0.00000000  0.45937668  0.10545095  1.0
  U  U7  1  0.00000000  0.54437201  0.89664745  1.0
  Re  Re8  1  0.00000000  0.64764581  0.31703020  1.0
  Re  Re9  1  0.00000000  0.34909700  0.68725429  1.0
  Re  Re10  1  0.00000000  0.14825762  0.17676813  1.0
  Re  Re11  1  0.00000000  0.85756644  0.81832086  1.0
  B  B12  1  0.50000000  0.55308488  0.43064063  1.0
  B  B13  1  0.50000000  0.44557672  0.57137349  1.0
  B  B14  1  0.50000000  0.05394757  0.06873159  1.0
  B  B15  1  0.50000000  0.94878578  0.92954113  1.0
  B  B16  1  0.50000000  0.74298796  0.42241153  1.0
  B  B17  1  0.50000000  0.25616800  0.57800539  1.0
  B  B18  1  0.50000000  0.24346885  0.07630456  1.0
  B  B19  1  0.50000000  0.75740605  0.92229054  1.0
  B  B20  1  0.50000000  0.80260552  0.27519594  1.0
  B  B21  1  0.50000000  0.19529198  0.72583283  1.0
  B  B22  1  0.50000000  0.30308136  0.22472350  1.0
  B  B23  1  0.50000000  0.69822481  0.77564715  1.0
  B  B24  1  0.50000000  0.64503401  0.18892512  1.0
  B  B25  1  0.50000000  0.35252948  0.81270904  1.0
  B  B26  1  0.50000000  0.14571838  0.31032384  1.0
  B  B27  1  0.50000000  0.85480814  0.68847167  1.0
  B  B28  1  0.50000000  0.99191235  0.21939055  1.0
  B  B29  1  0.50000000  0.01102477  0.78017529  1.0
  B  B30  1  0.50000000  0.49135110  0.28040894  1.0
  B  B31  1  0.50000000  0.50802749  0.72032936  1.0
  B  B32  1  0.50000000  0.63984239  0.03813944  1.0
  B  B33  1  0.50000000  0.35725510  0.96083654  1.0
  B  B34  1  0.50000000  0.13849881  0.46079885  1.0
  B  B35  1  0.50000000  0.86112011  0.53813196  1.0