# generated using pymatgen
data_TiAsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44602903
_cell_length_b   7.44578211
_cell_length_c   7.44596693
_cell_angle_alpha   128.31043487
_cell_angle_beta   120.69199511
_cell_angle_gamma   82.51265285
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAsRu
_chemical_formula_sum   'Ti6 As6 Ru6'
_cell_volume   267.74193655
_cell_formula_units_Z   6
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
  Ti  Ti0  1  0.46806012  0.24276939  0.27471776  1.0
  Ti  Ti1  1  0.53191226  0.80661939  0.77474147  1.0
  Ti  Ti2  1  0.75085287  0.66832396  0.41760743  1.0
  Ti  Ti3  1  0.24924539  0.66681518  0.91758185  1.0
  Ti  Ti4  1  0.05462771  0.84742398  0.29273704  1.0
  Ti  Ti5  1  0.94533662  0.23808474  0.79277171  1.0
  As  As6  1  0.83567874  0.57927337  0.74899096  1.0
  As  As7  1  0.16439896  0.91331181  0.74358170  1.0
  As  As8  1  0.66972242  0.91330769  0.24896360  1.0
  As  As9  1  0.33031295  0.57926714  0.24364273  1.0
  As  As10  1  0.28566290  0.28690361  0.50128504  1.0
  As  As11  1  0.71428304  0.21575595  0.00141075  1.0
  Ru  Ru12  1  0.66390253  0.49552204  0.91228156  1.0
  Ru  Ru13  1  0.33609758  0.24844114  0.83165471  1.0
  Ru  Ru14  1  0.91674668  0.24837017  0.41227141  1.0
  Ru  Ru15  1  0.08322006  0.49554696  0.33163762  1.0
  Ru  Ru16  1  -0.00016918  0.99736813  0.99710745  1.0
  Ru  Ru17  1  0.50010736  0.99729236  0.49741621  1.0