# generated using pymatgen
data_Zr6BCl14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.60613111
_cell_length_b   9.60613111
_cell_length_c   11.60367963
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.68040345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6BCl14
_chemical_formula_sum   'Zr12 B2 Cl28'
_cell_volume   1063.49156575
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.65018006  0.65018006  0.10978576  1.0
  Zr  Zr1  1  0.84981994  0.84981994  0.60978576  1.0
  Zr  Zr2  1  0.15018006  0.15018006  0.39021424  1.0
  Zr  Zr3  1  0.34981994  0.34981994  0.89021424  1.0
  Zr  Zr4  1  0.45167141  0.68862839  0.88303284  1.0
  Zr  Zr5  1  0.04832859  0.81137161  0.38303284  1.0
  Zr  Zr6  1  0.18862839  0.95167141  0.61696716  1.0
  Zr  Zr7  1  0.31137161  0.54832859  0.11696716  1.0
  Zr  Zr8  1  0.54832859  0.31137161  0.11696716  1.0
  Zr  Zr9  1  0.95167141  0.18862839  0.61696716  1.0
  Zr  Zr10  1  0.81137161  0.04832859  0.38303284  1.0
  Zr  Zr11  1  0.68862839  0.45167141  0.88303284  1.0
  B  B12  1  0.50000000  0.50000000  0.00000000  1.0
  B  B13  1  -0.00000000  -0.00000000  0.50000000  1.0
  Cl  Cl14  1  0.25149112  0.74850888  0.50000000  1.0
  Cl  Cl15  1  0.24850888  0.75149112  0.00000000  1.0
  Cl  Cl16  1  0.74850888  0.25149112  0.50000000  1.0
  Cl  Cl17  1  0.75149112  0.24850888  0.00000000  1.0
  Cl  Cl18  1  0.84137535  0.84137535  0.23960071  1.0
  Cl  Cl19  1  0.65862465  0.65862465  0.73960071  1.0
  Cl  Cl20  1  0.34137535  0.34137535  0.26039929  1.0
  Cl  Cl21  1  0.15862465  0.15862465  0.76039929  1.0
  Cl  Cl22  1  0.59895396  0.09895396  0.25000000  1.0
  Cl  Cl23  1  0.90104604  0.40104604  0.75000000  1.0
  Cl  Cl24  1  0.96483025  0.20926229  0.24974902  1.0
  Cl  Cl25  1  0.53516975  0.29073771  0.74974902  1.0
  Cl  Cl26  1  0.70926229  0.46483025  0.25025098  1.0
  Cl  Cl27  1  0.79073771  0.03516975  0.75025098  1.0
  Cl  Cl28  1  0.03516975  0.79073771  0.75025098  1.0
  Cl  Cl29  1  0.46483025  0.70926229  0.25025098  1.0
  Cl  Cl30  1  0.29073771  0.53516975  0.74974902  1.0
  Cl  Cl31  1  0.20926229  0.96483025  0.24974902  1.0
  Cl  Cl32  1  0.13437909  0.38080900  0.00828653  1.0
  Cl  Cl33  1  0.36562091  0.11919100  0.50828653  1.0
  Cl  Cl34  1  0.88080900  0.63437909  0.49171347  1.0
  Cl  Cl35  1  0.61919100  0.86562091  0.99171347  1.0
  Cl  Cl36  1  0.86562091  0.61919100  0.99171347  1.0
  Cl  Cl37  1  0.63437909  0.88080900  0.49171347  1.0
  Cl  Cl38  1  0.11919100  0.36562091  0.50828653  1.0
  Cl  Cl39  1  0.38080900  0.13437909  0.00828653  1.0
  Cl  Cl40  1  0.09895396  0.59895396  0.25000000  1.0
  Cl  Cl41  1  0.40104604  0.90104604  0.75000000  1.0