# generated using pymatgen
data_CaHfReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55915210
_cell_length_b   9.03377391
_cell_length_c   11.42125300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHfReB6
_chemical_formula_sum   'Ca4 Hf4 Re4 B24'
_cell_volume   367.22269829
_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  0.32440843  0.41580536  1.0
  Ca  Ca1  1  0.00000000  0.67559157  0.58419464  1.0
  Ca  Ca2  1  0.00000000  0.82440843  0.08419464  1.0
  Ca  Ca3  1  0.00000000  0.17559157  0.91580536  1.0
  Hf  Hf4  1  0.00000000  0.94546267  0.36931189  1.0
  Hf  Hf5  1  0.00000000  0.05453733  0.63068811  1.0
  Hf  Hf6  1  0.00000000  0.44546267  0.13068811  1.0
  Hf  Hf7  1  0.00000000  0.55453733  0.86931189  1.0
  Re  Re8  1  0.00000000  0.64427700  0.31578391  1.0
  Re  Re9  1  0.00000000  0.35572300  0.68421609  1.0
  Re  Re10  1  0.00000000  0.14427700  0.18421609  1.0
  Re  Re11  1  0.00000000  0.85572300  0.81578391  1.0
  B  B12  1  0.50000000  0.55506833  0.43206608  1.0
  B  B13  1  0.50000000  0.44493167  0.56793392  1.0
  B  B14  1  0.50000000  0.05506833  0.06793392  1.0
  B  B15  1  0.50000000  0.94493167  0.93206608  1.0
  B  B16  1  0.50000000  0.75405917  0.41723412  1.0
  B  B17  1  0.50000000  0.24594083  0.58276588  1.0
  B  B18  1  0.50000000  0.25405917  0.08276588  1.0
  B  B19  1  0.50000000  0.74594083  0.91723412  1.0
  B  B20  1  0.50000000  0.79723994  0.26354200  1.0
  B  B21  1  0.50000000  0.20276006  0.73645800  1.0
  B  B22  1  0.50000000  0.29723994  0.23645800  1.0
  B  B23  1  0.50000000  0.70276006  0.76354200  1.0
  B  B24  1  0.50000000  0.63175183  0.18264396  1.0
  B  B25  1  0.50000000  0.36824817  0.81735604  1.0
  B  B26  1  0.50000000  0.13175183  0.31735604  1.0
  B  B27  1  0.50000000  0.86824817  0.68264396  1.0
  B  B28  1  0.50000000  0.98401143  0.21340253  1.0
  B  B29  1  0.50000000  0.01598857  0.78659747  1.0
  B  B30  1  0.50000000  0.48401143  0.28659747  1.0
  B  B31  1  0.50000000  0.51598857  0.71340253  1.0
  B  B32  1  0.50000000  0.59627985  0.02521656  1.0
  B  B33  1  0.50000000  0.40372015  0.97478344  1.0
  B  B34  1  0.50000000  0.09627985  0.47478344  1.0
  B  B35  1  0.50000000  0.90372015  0.52521656  1.0