# generated using pymatgen
data_Tb3BC2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60239635
_cell_length_b   3.60239547
_cell_length_c   15.88504225
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.03635414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3BC2N
_chemical_formula_sum   'Tb6 B2 C4 N2'
_cell_volume   206.14422300
_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
  Tb  Tb0  1  0.52026949  0.47972851  0.10498262  1.0
  Tb  Tb1  1  0.02034454  0.97965346  0.25000000  1.0
  Tb  Tb2  1  0.52026949  0.47972851  0.39501738  1.0
  Tb  Tb3  1  0.47972851  0.52026949  0.60498262  1.0
  Tb  Tb4  1  0.97965346  0.02034454  0.75000000  1.0
  Tb  Tb5  1  0.47972851  0.52026949  0.89501738  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  B  B7  1  0.00000000  0.00000000  0.50000000  1.0
  C  C8  1  0.01788453  0.98211447  0.09303522  1.0
  C  C9  1  0.01788453  0.98211447  0.40696478  1.0
  C  C10  1  0.98211447  0.01788453  0.59303522  1.0
  C  C11  1  0.98211447  0.01788453  0.90696378  1.0
  N  N12  1  0.52201423  0.47798377  0.25000000  1.0
  N  N13  1  0.47798377  0.52201423  0.75000000  1.0