# generated using pymatgen
data_LiTm5(P2Ru3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.49063784
_cell_length_b   12.49063852
_cell_length_c   3.93884001
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.99299193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTm5(P2Ru3)6
_chemical_formula_sum   'Li1 Tm5 P12 Ru18'
_cell_volume   526.78706899
_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
  Li  Li0  1  0.56121894  0.56121894  0.00000000  1.0
  Tm  Tm1  1  0.18136733  0.18136733  0.50000000  1.0
  Tm  Tm2  1  0.81692781  0.99806920  0.50000000  1.0
  Tm  Tm3  1  0.99806920  0.81692781  0.50000000  1.0
  Tm  Tm4  1  0.32780030  0.67005781  0.00000000  1.0
  Tm  Tm5  1  0.67005781  0.32780030  0.00000000  1.0
  P  P6  1  0.80703164  0.80703164  0.00000000  1.0
  P  P7  1  0.18309100  0.00353948  0.00000000  1.0
  P  P8  1  0.00353948  0.18309100  0.00000000  1.0
  P  P9  1  0.17306753  0.48187785  0.50000000  1.0
  P  P10  1  0.51758113  0.69911976  0.50000000  1.0
  P  P11  1  0.30622435  0.83386239  0.50000000  1.0
  P  P12  1  0.69911976  0.51758113  0.50000000  1.0
  P  P13  1  0.83386239  0.30622435  0.50000000  1.0
  P  P14  1  0.48187785  0.17306753  0.50000000  1.0
  P  P15  1  0.36746114  0.36746114  0.00000000  1.0
  P  P16  1  0.62568652  0.99898426  0.00000000  1.0
  P  P17  1  0.99898426  0.62568652  0.00000000  1.0
  Ru  Ru18  1  0.44527725  0.00175337  0.00000000  1.0
  Ru  Ru19  1  0.00175337  0.44527725  0.00000000  1.0
  Ru  Ru20  1  0.70977476  0.70977476  0.50000000  1.0
  Ru  Ru21  1  0.28245281  0.00387818  0.50000000  1.0
  Ru  Ru22  1  0.00387818  0.28245281  0.50000000  1.0
  Ru  Ru23  1  0.18798498  0.38145475  0.00000000  1.0
  Ru  Ru24  1  0.61831680  0.80613023  0.00000000  1.0
  Ru  Ru25  1  0.18736313  0.81725547  0.00000000  1.0
  Ru  Ru26  1  0.80613023  0.61831680  0.00000000  1.0
  Ru  Ru27  1  0.81725547  0.18736313  0.00000000  1.0
  Ru  Ru28  1  0.38145475  0.18798498  0.00000000  1.0
  Ru  Ru29  1  0.36763101  0.49194819  0.50000000  1.0
  Ru  Ru30  1  0.50739809  0.87734802  0.50000000  1.0
  Ru  Ru31  1  0.12919213  0.63692264  0.50000000  1.0
  Ru  Ru32  1  0.87734802  0.50739809  0.50000000  1.0
  Ru  Ru33  1  0.63692264  0.12919213  0.50000000  1.0
  Ru  Ru34  1  0.49194819  0.36763101  0.50000000  1.0
  Ru  Ru35  1  0.99495174  0.99495174  0.00000000  1.0