# generated using pymatgen
data_Er7Th(ReB6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67882396
_cell_length_b   9.13761907
_cell_length_c   11.52826163
_cell_angle_alpha   90.03808721
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er7Th(ReB6)4
_chemical_formula_sum   'Er7 Th1 Re4 B24'
_cell_volume   387.53040684
_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
  Er  Er0  1  0.00000000  0.67814323  0.58754480  1.0
  Er  Er1  1  0.00000000  0.82368719  0.08496378  1.0
  Er  Er2  1  0.00000000  0.17584644  0.91414928  1.0
  Er  Er3  1  0.00000000  0.94165093  0.36943459  1.0
  Er  Er4  1  0.00000000  0.05593539  0.63151276  1.0
  Er  Er5  1  0.00000000  0.44328153  0.12825057  1.0
  Er  Er6  1  0.00000000  0.55789193  0.87063951  1.0
  Th  Th7  1  0.00000000  0.32226767  0.41434407  1.0
  Re  Re8  1  0.00000000  0.63903171  0.32035661  1.0
  Re  Re9  1  0.00000000  0.36237949  0.68085300  1.0
  Re  Re10  1  0.00000000  0.13781067  0.17799855  1.0
  Re  Re11  1  0.00000000  0.86171707  0.82064917  1.0
  B  B12  1  0.50000000  0.55624836  0.43212567  1.0
  B  B13  1  0.50000000  0.44750026  0.57022720  1.0
  B  B14  1  0.50000000  0.05272909  0.06586353  1.0
  B  B15  1  0.50000000  0.94647317  0.93307810  1.0
  B  B16  1  0.50000000  0.75031926  0.41802973  1.0
  B  B17  1  0.50000000  0.25062025  0.58599415  1.0
  B  B18  1  0.50000000  0.24870502  0.07951955  1.0
  B  B19  1  0.50000000  0.75077686  0.91869202  1.0
  B  B20  1  0.50000000  0.79218972  0.26438166  1.0
  B  B21  1  0.50000000  0.20804908  0.73706214  1.0
  B  B22  1  0.50000000  0.29000079  0.23146711  1.0
  B  B23  1  0.50000000  0.70819238  0.76579263  1.0
  B  B24  1  0.50000000  0.63190134  0.18393948  1.0
  B  B25  1  0.50000000  0.37003337  0.81592846  1.0
  B  B26  1  0.50000000  0.12822004  0.31169365  1.0
  B  B27  1  0.50000000  0.86920268  0.68594209  1.0
  B  B28  1  0.50000000  0.98108043  0.21050218  1.0
  B  B29  1  0.50000000  0.01771648  0.78878330  1.0
  B  B30  1  0.50000000  0.48549899  0.28551725  1.0
  B  B31  1  0.50000000  0.51879675  0.71400427  1.0
  B  B32  1  0.50000000  0.60134443  0.02758548  1.0
  B  B33  1  0.50000000  0.39962566  0.97166366  1.0
  B  B34  1  0.50000000  0.09612291  0.47324060  1.0
  B  B35  1  0.50000000  0.89900841  0.52826942  1.0