# generated using pymatgen
data_TmTh7(Si3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24872684
_cell_length_b   8.24872691
_cell_length_c   8.26897344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTh7(Si3Ru)4
_chemical_formula_sum   'Tm1 Th7 Si12 Ru4'
_cell_volume   487.25472614
_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  0.00000000  0.00000000  0.75000000  1.0
  Th  Th1  1  0.50000006  0.99999912  0.25000000  1.0
  Th  Th2  1  0.50000982  0.00001964  0.75000000  1.0
  Th  Th3  1  0.00000088  0.49999994  0.25000000  1.0
  Th  Th4  1  0.99998036  0.49999018  0.75000000  1.0
  Th  Th5  1  0.50000006  0.49999994  0.25000000  1.0
  Th  Th6  1  0.50000982  0.49999018  0.75000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.25000000  1.0
  Si  Si8  1  0.16552675  0.33105249  0.99834031  1.0
  Si  Si9  1  0.83449252  0.66898504  0.99810171  1.0
  Si  Si10  1  0.66894751  0.83447325  0.99834031  1.0
  Si  Si11  1  0.83449252  0.66898504  0.50189829  1.0
  Si  Si12  1  0.33101496  0.16550748  0.99810171  1.0
  Si  Si13  1  0.16552675  0.33105249  0.50165969  1.0
  Si  Si14  1  0.16552675  0.83447325  0.99834031  1.0
  Si  Si15  1  0.33101496  0.16550748  0.50189829  1.0
  Si  Si16  1  0.83449252  0.16550748  0.99810171  1.0
  Si  Si17  1  0.66894751  0.83447325  0.50165969  1.0
  Si  Si18  1  0.83449252  0.16550748  0.50189829  1.0
  Si  Si19  1  0.16552675  0.83447325  0.50165969  1.0
  Ru  Ru20  1  0.33333300  0.66666700  0.99631327  1.0
  Ru  Ru21  1  0.66666700  0.33333300  0.99577199  1.0
  Ru  Ru22  1  0.66666700  0.33333300  0.50422801  1.0
  Ru  Ru23  1  0.33333300  0.66666700  0.50368673  1.0