# generated using pymatgen
data_Tb3BCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44299822
_cell_length_b   9.44296637
_cell_length_c   9.44299879
_cell_angle_alpha   109.47124820
_cell_angle_beta   109.47128031
_cell_angle_gamma   109.47111848
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3BCl3
_chemical_formula_sum   'Tb12 B4 Cl12'
_cell_volume   648.19619047
_cell_formula_units_Z   4
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  0.47077686  0.48538745  0.23538936  1.0
  Tb  Tb1  1  0.75001750  0.23538661  0.26462732  1.0
  Tb  Tb2  1  0.75001603  0.01463091  0.48538998  1.0
  Tb  Tb3  1  0.23537317  0.47075701  0.48538784  1.0
  Tb  Tb4  1  0.26461035  0.75000014  0.23539004  1.0
  Tb  Tb5  1  0.02921989  0.26460844  0.01461190  1.0
  Tb  Tb6  1  0.01461138  0.02924294  0.26462767  1.0
  Tb  Tb7  1  0.48539180  0.75000159  0.01461020  1.0
  Tb  Tb8  1  0.48538885  0.23539006  0.47077892  1.0
  Tb  Tb9  1  0.01460830  0.48536778  0.74998139  1.0
  Tb  Tb10  1  0.26461186  0.01461287  0.02922420  1.0
  Tb  Tb11  1  0.23537296  0.26461271  0.74998159  1.0
  B  B12  1  0.24999408  0.25000010  0.25000594  1.0
  B  B13  1  0.50001133  0.00000717  0.25000638  1.0
  B  B14  1  0.00000002  0.24999955  0.49999890  1.0
  B  B15  1  0.24999429  0.49999351  0.99998976  1.0
  Cl  Cl16  1  0.24999039  0.75614492  0.74381923  1.0
  Cl  Cl17  1  0.51231495  0.50615709  0.75615546  1.0
  Cl  Cl18  1  0.98765727  0.74383069  0.99382995  1.0
  Cl  Cl19  1  0.74384058  0.24999975  0.75615765  1.0
  Cl  Cl20  1  0.99382999  0.98767556  0.74382120  1.0
  Cl  Cl21  1  0.24998995  0.99384741  0.50616997  1.0
  Cl  Cl22  1  0.75617849  0.51232326  0.50616946  1.0
  Cl  Cl23  1  0.50617115  0.24999982  0.99382988  1.0
  Cl  Cl24  1  0.75618120  0.74385559  0.25000970  1.0
  Cl  Cl25  1  0.74384418  0.99384336  0.98768559  1.0
  Cl  Cl26  1  0.99382994  0.50615300  0.25001072  1.0
  Cl  Cl27  1  0.50617024  0.75616971  0.51234279  1.0