# generated using pymatgen
data_Th3Ni2B2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65030233
_cell_length_b   3.65030000
_cell_length_c   10.54431155
_cell_angle_alpha   99.98761824
_cell_angle_beta   99.98766508
_cell_angle_gamma   89.98600162
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Ni2B2N3
_chemical_formula_sum   'Th3 Ni2 B2 N3'
_cell_volume   136.20905657
_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  0.99997716  0.99997464  0.99994541  1.0
  Th  Th1  1  0.63284253  0.63284518  0.26579738  1.0
  Th  Th2  1  0.36713953  0.36713806  0.73413950  1.0
  Ni  Ni3  1  0.75010728  0.25002450  0.50017473  1.0
  Ni  Ni4  1  0.25001690  0.75011010  0.50017186  1.0
  B  B5  1  0.19296812  0.19297176  0.38571067  1.0
  B  B6  1  0.80699072  0.80698819  0.61418368  1.0
  N  N7  1  0.50000032  0.49999313  0.99997529  1.0
  N  N8  1  0.11862113  0.11862507  0.23744956  1.0
  N  N9  1  0.88134134  0.88133736  0.76244991  1.0