# generated using pymatgen
data_Tm3Pa(SiRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33352070
_cell_length_b   6.88432171
_cell_length_c   7.04008261
_cell_angle_alpha   89.50581702
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Pa(SiRu)4
_chemical_formula_sum   'Tm3 Pa1 Si4 Ru4'
_cell_volume   210.02144090
_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
  Tm  Tm0  1  0.75000000  0.01505177  0.19090084  1.0
  Tm  Tm1  1  0.25000000  0.48604181  0.68503237  1.0
  Tm  Tm2  1  0.75000000  0.51743669  0.30966465  1.0
  Pa  Pa3  1  0.25000000  0.97961966  0.80826534  1.0
  Si  Si4  1  0.25000000  0.30153655  0.10906514  1.0
  Si  Si5  1  0.75000000  0.68900891  0.88874776  1.0
  Si  Si6  1  0.25000000  0.79960424  0.38620139  1.0
  Si  Si7  1  0.75000000  0.20909934  0.60582819  1.0
  Ru  Ru8  1  0.75000000  0.85088916  0.57217705  1.0
  Ru  Ru9  1  0.25000000  0.14809627  0.44737419  1.0
  Ru  Ru10  1  0.75000000  0.34303819  0.93961151  1.0
  Ru  Ru11  1  0.25000000  0.66057641  0.05713158  1.0