# generated using pymatgen
data_TmScP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31141027
_cell_length_b   9.31140929
_cell_length_c   3.90759853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999303
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmScP7Ru12
_chemical_formula_sum   'Tm1 Sc1 P7 Ru12'
_cell_volume   293.40768116
_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  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.59962342  0.71820149  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28179851  0.88142193  0.50000000  1.0
  P  P5  1  0.11857807  0.40037658  0.50000000  1.0
  P  P6  1  0.88296934  0.57225031  0.00000000  1.0
  P  P7  1  0.42774969  0.31072004  0.00000000  1.0
  P  P8  1  0.68927996  0.11703066  0.00000000  1.0
  Ru  Ru9  1  0.55613352  0.95034168  0.50000000  1.0
  Ru  Ru10  1  0.39420915  0.44386648  0.50000000  1.0
  Ru  Ru11  1  0.91474325  0.12167557  0.50000000  1.0
  Ru  Ru12  1  0.20693232  0.08525675  0.50000000  1.0
  Ru  Ru13  1  0.87832443  0.79306768  0.50000000  1.0
  Ru  Ru14  1  0.72683443  0.89110242  0.00000000  1.0
  Ru  Ru15  1  0.10889758  0.83573201  0.00000000  1.0
  Ru  Ru16  1  0.16426799  0.27316557  0.00000000  1.0
  Ru  Ru17  1  0.42634203  0.06932124  0.00000000  1.0
  Ru  Ru18  1  0.93067876  0.35702179  0.00000000  1.0
  Ru  Ru19  1  0.64297821  0.57365797  0.00000000  1.0
  Ru  Ru20  1  0.04965832  0.60579085  0.50000000  1.0