# generated using pymatgen
data_Th7ReIrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.03831373
_cell_length_b   9.92118073
_cell_length_c   6.36963804
_cell_angle_alpha   89.99999886
_cell_angle_beta   90.07185102
_cell_angle_gamma   119.61474578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th7ReIrRu
_chemical_formula_sum   'Th14 Re2 Ir2 Ru2'
_cell_volume   551.49549275
_cell_formula_units_Z   2
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  0.45410485  0.53445043  0.30030235  1.0
  Th  Th1  1  0.08094019  0.54047009  0.30092838  1.0
  Th  Th2  1  0.92392603  0.46196402  0.79797530  1.0
  Th  Th3  1  0.25355517  0.12677809  0.50538211  1.0
  Th  Th4  1  0.54238429  0.07798301  0.79903369  1.0
  Th  Th5  1  0.74129482  0.87064641  0.00509917  1.0
  Th  Th6  1  0.66715148  0.33357524  0.28891876  1.0
  Th  Th7  1  0.12877832  0.87796704  0.00370757  1.0
  Th  Th8  1  0.45410485  0.91965441  0.30030235  1.0
  Th  Th9  1  0.54238429  0.46440228  0.79903369  1.0
  Th  Th10  1  0.87492971  0.12386454  0.50478154  1.0
  Th  Th11  1  0.12877832  0.25081228  0.00370757  1.0
  Th  Th12  1  0.87492971  0.75106617  0.50478154  1.0
  Th  Th13  1  0.33171291  0.66585746  0.78425547  1.0
  Re  Re14  1  0.62443352  0.81221576  0.55010892  1.0
  Re  Re15  1  0.37792061  0.18896131  0.04937285  1.0
  Ir  Ir16  1  0.81849140  0.62670519  0.04895102  1.0
  Ir  Ir17  1  0.81849140  0.19178621  0.04895102  1.0
  Ru  Ru18  1  0.18084307  0.37057425  0.54420236  1.0
  Ru  Ru19  1  0.18084307  0.81026782  0.54420236  1.0