# generated using pymatgen
data_TbNd6BeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91485196
_cell_length_b   9.91485344
_cell_length_c   9.91485330
_cell_angle_alpha   107.39027634
_cell_angle_beta   107.39027897
_cell_angle_gamma   107.39028415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNd6BeI12
_chemical_formula_sum   'Tb1 Nd6 Be1 I12'
_cell_volume   802.91819972
_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
  Tb  Tb0  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.02800312  0.10021265  0.30486085  1.0
  Nd  Nd2  1  0.10021265  0.30486085  0.02800312  1.0
  Nd  Nd3  1  0.30486085  0.02800312  0.10021265  1.0
  Nd  Nd4  1  0.97199688  0.89978735  0.69513915  1.0
  Nd  Nd5  1  0.89978735  0.69513915  0.97199688  1.0
  Nd  Nd6  1  0.69513915  0.97199688  0.89978735  1.0
  Be  Be7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.16545139  0.47229587  0.39324872  1.0
  I  I9  1  0.47229587  0.39324872  0.16545139  1.0
  I  I10  1  0.39324872  0.16545139  0.47229587  1.0
  I  I11  1  0.83454861  0.52770413  0.60675128  1.0
  I  I12  1  0.52770413  0.60675128  0.83454861  1.0
  I  I13  1  0.60675128  0.83454861  0.52770413  1.0
  I  I14  1  0.68071687  0.07321266  0.22955707  1.0
  I  I15  1  0.07321266  0.22955707  0.68071687  1.0
  I  I16  1  0.22955707  0.68071687  0.07321266  1.0
  I  I17  1  0.31928313  0.92678734  0.77044293  1.0
  I  I18  1  0.92678734  0.77044293  0.31928313  1.0
  I  I19  1  0.77044293  0.31928313  0.92678734  1.0