# generated using pymatgen
data_Nd3Th11TcRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81243694
_cell_length_b   9.91383540
_cell_length_c   6.47441853
_cell_angle_alpha   89.60199698
_cell_angle_beta   90.30893920
_cell_angle_gamma   120.04829123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Th11TcRu5
_chemical_formula_sum   'Nd3 Th11 Tc1 Ru5'
_cell_volume   545.16366867
_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
  Nd  Nd0  1  0.46350878  0.53722917  0.29846673  1.0
  Nd  Nd1  1  0.07144682  0.53536171  0.29826444  1.0
  Nd  Nd2  1  0.92662934  0.46197490  0.79696871  1.0
  Th  Th3  1  0.24922876  0.12518887  0.51012124  1.0
  Th  Th4  1  0.53963690  0.07646953  0.80451535  1.0
  Th  Th5  1  0.75107930  0.87381127  0.01185722  1.0
  Th  Th6  1  0.66647215  0.33373001  0.27259749  1.0
  Th  Th7  1  0.12293285  0.87309698  0.00767155  1.0
  Th  Th8  1  0.46367696  0.92475629  0.30543342  1.0
  Th  Th9  1  0.53830572  0.46266169  0.80315933  1.0
  Th  Th10  1  0.87724150  0.12493746  0.51181735  1.0
  Th  Th11  1  0.12382035  0.24925857  0.00755701  1.0
  Th  Th12  1  0.87530325  0.75102393  0.50949086  1.0
  Th  Th13  1  0.33411288  0.66710810  0.77314030  1.0
  Tc  Tc14  1  0.81138524  0.63810471  0.04146733  1.0
  Ru  Ru15  1  0.80837514  0.17307744  0.04658664  1.0
  Ru  Ru16  1  0.63169260  0.82456394  0.54788707  1.0
  Ru  Ru17  1  0.37045486  0.18374434  0.03950479  1.0
  Ru  Ru18  1  0.18059729  0.35778564  0.55310294  1.0
  Ru  Ru19  1  0.19409933  0.82611544  0.54438724  1.0