# generated using pymatgen
data_Th3(BN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43682022
_cell_length_b   6.43682107
_cell_length_c   6.43682020
_cell_angle_alpha   147.27793632
_cell_angle_beta   121.46943228
_cell_angle_gamma   68.69414641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3(BN2)2
_chemical_formula_sum   'Th3 B2 N4'
_cell_volume   121.28615745
_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  0.69341217  0.19341217  0.50000000  1.0
  Th  Th1  1  0.30658783  0.80658783  0.50000000  1.0
  Th  Th2  1  0.00000000  0.00000000  0.00000000  1.0
  B  B3  1  0.36183094  0.50000000  0.86183094  1.0
  B  B4  1  0.63816906  0.50000000  0.13816906  1.0
  N  N5  1  0.35869989  0.62201130  0.73668859  1.0
  N  N6  1  0.88532072  0.62201130  0.26331141  1.0
  N  N7  1  0.11467928  0.37798870  0.73668859  1.0
  N  N8  1  0.64130011  0.37798870  0.26331141  1.0