# generated using pymatgen
data_ThTaP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36337093
_cell_length_b   9.36336956
_cell_length_c   3.89135708
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTaP7Ru12
_chemical_formula_sum   'Th1 Ta1 P7 Ru12'
_cell_volume   295.45823015
_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
  Th  Th0  1  0.33333300  0.66666700  0.00000000  1.0
  Ta  Ta1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60488981  0.71921420  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28078580  0.88567661  0.50000000  1.0
  P  P5  1  0.11432339  0.39511019  0.50000000  1.0
  P  P6  1  0.88710099  0.57275026  0.00000000  1.0
  P  P7  1  0.42724974  0.31435173  0.00000000  1.0
  P  P8  1  0.68564827  0.11289901  0.00000000  1.0
  Ru  Ru9  1  0.55960726  0.95930474  0.50000000  1.0
  Ru  Ru10  1  0.39969848  0.44039274  0.50000000  1.0
  Ru  Ru11  1  0.91244374  0.12182936  0.50000000  1.0
  Ru  Ru12  1  0.20938463  0.08755626  0.50000000  1.0
  Ru  Ru13  1  0.87817064  0.79061537  0.50000000  1.0
  Ru  Ru14  1  0.72432054  0.88711399  0.00000000  1.0
  Ru  Ru15  1  0.11288601  0.83720655  0.00000000  1.0
  Ru  Ru16  1  0.16279345  0.27567946  0.00000000  1.0
  Ru  Ru17  1  0.43221478  0.08205330  0.00000000  1.0
  Ru  Ru18  1  0.91794670  0.35016247  0.00000000  1.0
  Ru  Ru19  1  0.64983753  0.56778522  0.00000000  1.0
  Ru  Ru20  1  0.04069526  0.60030152  0.50000000  1.0