# generated using pymatgen
data_Th2(ReB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35273786
_cell_length_b   6.35273747
_cell_length_c   7.63030594
_cell_angle_alpha   89.14138859
_cell_angle_beta   89.14139021
_cell_angle_gamma   115.20061080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2(ReB2)3
_chemical_formula_sum   'Th4 Re6 B12'
_cell_volume   278.52057997
_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
  Th  Th0  1  0.44035934  0.09519374  0.17482857  1.0
  Th  Th1  1  0.90480626  0.55964066  0.32517143  1.0
  Th  Th2  1  0.55964066  0.90480626  0.82517143  1.0
  Th  Th3  1  0.09519374  0.44035934  0.67482857  1.0
  Re  Re4  1  0.80561286  0.99240115  0.41463823  1.0
  Re  Re5  1  0.00759885  0.19438714  0.08536177  1.0
  Re  Re6  1  0.19438714  0.00759885  0.58536177  1.0
  Re  Re7  1  0.99240115  0.80561286  0.91463823  1.0
  Re  Re8  1  0.41180665  0.58819335  0.25000000  1.0
  Re  Re9  1  0.58819335  0.41180665  0.75000000  1.0
  B  B10  1  0.15208771  0.24724159  0.36622405  1.0
  B  B11  1  0.75275841  0.84791229  0.13377595  1.0
  B  B12  1  0.84791229  0.75275841  0.63377595  1.0
  B  B13  1  0.24724159  0.15208771  0.86622405  1.0
  B  B14  1  0.16181464  0.58432232  0.01860037  1.0
  B  B15  1  0.41567768  0.83818536  0.48139963  1.0
  B  B16  1  0.83818536  0.41567768  0.98139963  1.0
  B  B17  1  0.58432232  0.16181464  0.51860037  1.0
  B  B18  1  0.34937842  0.44382603  0.96586393  1.0
  B  B19  1  0.55617397  0.65062158  0.53413607  1.0
  B  B20  1  0.65062158  0.55617397  0.03413607  1.0
  B  B21  1  0.44382603  0.34937842  0.46586393  1.0