# generated using pymatgen
data_Hf18BeRe8B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43363074
_cell_length_b   8.43363082
_cell_length_c   8.55922156
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf18BeRe8B
_chemical_formula_sum   'Hf18 Be1 Re8 B1'
_cell_volume   527.22264067
_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
  Hf  Hf0  1  0.19815387  0.80184613  0.44710167  1.0
  Hf  Hf1  1  0.19815387  0.39630873  0.44710167  1.0
  Hf  Hf2  1  0.60369127  0.80184613  0.44710167  1.0
  Hf  Hf3  1  0.79915192  0.20084808  0.55554872  1.0
  Hf  Hf4  1  0.79915192  0.59830283  0.55554872  1.0
  Hf  Hf5  1  0.40169717  0.20084808  0.55554872  1.0
  Hf  Hf6  1  0.79915192  0.20084808  0.94445128  1.0
  Hf  Hf7  1  0.79915192  0.59830283  0.94445128  1.0
  Hf  Hf8  1  0.40169717  0.20084808  0.94445128  1.0
  Hf  Hf9  1  0.19815387  0.80184613  0.05289833  1.0
  Hf  Hf10  1  0.19815387  0.39630873  0.05289833  1.0
  Hf  Hf11  1  0.60369127  0.80184613  0.05289833  1.0
  Hf  Hf12  1  0.54111448  0.45888552  0.25000000  1.0
  Hf  Hf13  1  0.54111448  0.08222996  0.25000000  1.0
  Hf  Hf14  1  0.91777004  0.45888552  0.25000000  1.0
  Hf  Hf15  1  0.45933777  0.54066223  0.75000000  1.0
  Hf  Hf16  1  0.45933777  0.91867555  0.75000000  1.0
  Hf  Hf17  1  0.08132445  0.54066223  0.75000000  1.0
  Be  Be18  1  0.33333300  0.66666700  0.25000000  1.0
  Re  Re19  1  0.88944926  0.11055074  0.25000000  1.0
  Re  Re20  1  0.88944926  0.77889952  0.25000000  1.0
  Re  Re21  1  0.22110048  0.11055074  0.25000000  1.0
  Re  Re22  1  0.11016554  0.88983446  0.75000000  1.0
  Re  Re23  1  0.11016554  0.22033108  0.75000000  1.0
  Re  Re24  1  0.77966892  0.88983446  0.75000000  1.0
  Re  Re25  1  0.00000000  0.00000000  0.49998589  1.0
  Re  Re26  1  0.00000000  0.00000000  0.00001411  1.0
  B  B27  1  0.66666700  0.33333300  0.75000000  1.0