# generated using pymatgen
data_Ti2Si2MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52951645
_cell_length_b   7.51278307
_cell_length_c   7.52932733
_cell_angle_alpha   126.03366235
_cell_angle_beta   128.89793413
_cell_angle_gamma   77.55702178
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Si2MoRu
_chemical_formula_sum   'Ti6 Si6 Mo3 Ru3'
_cell_volume   259.91493911
_cell_formula_units_Z   3
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  0.24507765  0.90336865  0.15598853  1.0
  Ti  Ti1  1  0.94771064  0.48423962  0.03291210  1.0
  Ti  Ti2  1  0.05306158  0.09982234  0.54496739  1.0
  Ti  Ti3  1  0.45106558  0.48390257  0.53639403  1.0
  Ti  Ti4  1  0.74770547  0.90373577  0.65836924  1.0
  Ti  Ti5  1  0.55512018  0.10061310  0.04749054  1.0
  Si  Si6  1  0.75133304  0.50715491  0.25271576  1.0
  Si  Si7  1  0.16821986  0.15881454  0.99074025  1.0
  Si  Si8  1  0.66548899  0.15446612  0.48881875  1.0
  Si  Si9  1  0.33005992  0.82309548  0.49377623  1.0
  Si  Si10  1  0.25419075  0.50673424  0.75558030  1.0
  Si  Si11  1  0.82888737  0.82756579  0.99804108  1.0
  Mo  Mo12  1  0.49957765  0.23623439  0.73685903  1.0
  Mo  Mo13  1  0.00092309  0.23848361  0.23757800  1.0
  Mo  Mo14  1  0.86868717  0.49792643  0.62915652  1.0
  Ru  Ru15  1  0.63028845  0.75906522  0.12809981  1.0
  Ru  Ru16  1  0.37024284  0.49658447  0.12645781  1.0
  Ru  Ru17  1  0.13235975  0.76040375  0.62826465  1.0