# generated using pymatgen
data_ThZrReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70476538
_cell_length_b   9.12332988
_cell_length_c   11.56311714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThZrReB6
_chemical_formula_sum   'Th4 Zr4 Re4 B24'
_cell_volume   390.83100840
_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
  Th  Th0  1  0.00000000  0.32240079  0.41412629  1.0
  Th  Th1  1  0.00000000  0.67759921  0.58587371  1.0
  Th  Th2  1  0.00000000  0.82240079  0.08587371  1.0
  Th  Th3  1  0.00000000  0.17759921  0.91412629  1.0
  Zr  Zr4  1  0.00000000  0.94495654  0.37458618  1.0
  Zr  Zr5  1  0.00000000  0.05504346  0.62541382  1.0
  Zr  Zr6  1  0.00000000  0.44495654  0.12541382  1.0
  Zr  Zr7  1  0.00000000  0.55504346  0.87458618  1.0
  Re  Re8  1  0.00000000  0.64209259  0.31713212  1.0
  Re  Re9  1  0.00000000  0.35790741  0.68286788  1.0
  Re  Re10  1  0.00000000  0.14209259  0.18286788  1.0
  Re  Re11  1  0.00000000  0.85790741  0.81713212  1.0
  B  B12  1  0.50000000  0.55697218  0.42999609  1.0
  B  B13  1  0.50000000  0.44302782  0.57000391  1.0
  B  B14  1  0.50000000  0.05697218  0.07000391  1.0
  B  B15  1  0.50000000  0.94302782  0.92999609  1.0
  B  B16  1  0.50000000  0.75320656  0.41579872  1.0
  B  B17  1  0.50000000  0.24679344  0.58420128  1.0
  B  B18  1  0.50000000  0.25320656  0.08420128  1.0
  B  B19  1  0.50000000  0.74679344  0.91579872  1.0
  B  B20  1  0.50000000  0.79466953  0.26508786  1.0
  B  B21  1  0.50000000  0.20533047  0.73491214  1.0
  B  B22  1  0.50000000  0.29466953  0.23491214  1.0
  B  B23  1  0.50000000  0.70533047  0.76508786  1.0
  B  B24  1  0.50000000  0.62933840  0.18393882  1.0
  B  B25  1  0.50000000  0.37066160  0.81606118  1.0
  B  B26  1  0.50000000  0.12933840  0.31606118  1.0
  B  B27  1  0.50000000  0.87066160  0.68393882  1.0
  B  B28  1  0.50000000  0.98390494  0.21531444  1.0
  B  B29  1  0.50000000  0.01609506  0.78468556  1.0
  B  B30  1  0.50000000  0.48390494  0.28468556  1.0
  B  B31  1  0.50000000  0.51609506  0.71531444  1.0
  B  B32  1  0.50000000  0.59920338  0.02646742  1.0
  B  B33  1  0.50000000  0.40079662  0.97353258  1.0
  B  B34  1  0.50000000  0.09920338  0.47353258  1.0
  B  B35  1  0.50000000  0.90079662  0.52646742  1.0