# generated using pymatgen
data_Th14Re5Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97483743
_cell_length_b   9.97483731
_cell_length_c   6.37714482
_cell_angle_alpha   90.25306449
_cell_angle_beta   89.74693324
_cell_angle_gamma   119.59466126
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th14Re5Ru
_chemical_formula_sum   'Th14 Re5 Ru1'
_cell_volume   551.72453234
_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
  Th  Th0  1  0.46174312  0.53825688  0.30268481  1.0
  Th  Th1  1  0.07396570  0.53990746  0.29997113  1.0
  Th  Th2  1  0.92389681  0.45803058  0.80031698  1.0
  Th  Th3  1  0.25093292  0.12586154  0.50704184  1.0
  Th  Th4  1  0.54196942  0.07610319  0.80031698  1.0
  Th  Th5  1  0.74981480  0.87435322  0.00887251  1.0
  Th  Th6  1  0.66721768  0.33278232  0.27574766  1.0
  Th  Th7  1  0.12491655  0.87508345  0.00472004  1.0
  Th  Th8  1  0.46009254  0.92603430  0.29997113  1.0
  Th  Th9  1  0.53769652  0.46230348  0.80196642  1.0
  Th  Th10  1  0.87608197  0.12391803  0.50966499  1.0
  Th  Th11  1  0.12564678  0.25018520  0.00887251  1.0
  Th  Th12  1  0.87413846  0.74906708  0.50704184  1.0
  Th  Th13  1  0.33230312  0.66769688  0.77587098  1.0
  Re  Re14  1  0.81895611  0.63061568  0.04643556  1.0
  Re  Re15  1  0.81589186  0.18410814  0.04957622  1.0
  Re  Re16  1  0.62697776  0.81577428  0.54924345  1.0
  Re  Re17  1  0.36938432  0.18104389  0.04643556  1.0
  Re  Re18  1  0.18422572  0.37302224  0.54924345  1.0
  Ru  Ru19  1  0.18414982  0.81585018  0.54000193  1.0