# generated using pymatgen
data_Tb3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74301902
_cell_length_b   9.74290295
_cell_length_c   9.74298606
_cell_angle_alpha   109.47062324
_cell_angle_beta   109.47173256
_cell_angle_gamma   109.47144626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3BBr3
_chemical_formula_sum   'Tb12 B4 Br12'
_cell_volume   711.95306846
_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  0.46105716  0.48053570  0.23052191  1.0
  Tb  Tb1  1  0.75000618  0.23053010  0.26947259  1.0
  Tb  Tb2  1  0.75000181  0.01946254  0.48053980  1.0
  Tb  Tb3  1  0.23053640  0.46106461  0.48052611  1.0
  Tb  Tb4  1  0.26944770  0.74997346  0.23052389  1.0
  Tb  Tb5  1  0.03894431  0.26948057  0.01946872  1.0
  Tb  Tb6  1  0.01948386  0.03895879  0.26947663  1.0
  Tb  Tb7  1  0.48052227  0.74997433  0.01945349  1.0
  Tb  Tb8  1  0.48051826  0.23052997  0.46105284  1.0
  Tb  Tb9  1  0.01948078  0.48054337  0.75002131  1.0
  Tb  Tb10  1  0.26945483  0.01946625  0.03892311  1.0
  Tb  Tb11  1  0.23054523  0.26948178  0.75002083  1.0
  B  B12  1  0.24999997  0.25001125  0.24999110  1.0
  B  B13  1  0.49998626  -0.00001933  0.24999067  1.0
  B  B14  1  0.00001376  0.25001185  0.50001756  1.0
  B  B15  1  0.24999965  0.49999904  0.00000364  1.0
  Br  Br16  1  0.25000220  0.75816115  0.74183655  1.0
  Br  Br17  1  0.51632627  0.50815731  0.75814314  1.0
  Br  Br18  1  0.98366869  0.74186302  0.99184209  1.0
  Br  Br19  1  0.74182038  0.24998286  0.75814676  1.0
  Br  Br20  1  0.99183581  0.98368503  0.74183633  1.0
  Br  Br21  1  0.25000184  0.99184595  0.50815733  1.0
  Br  Br22  1  0.75815259  0.51631179  0.50815251  1.0
  Br  Br23  1  0.50817729  0.24998767  0.99185198  1.0
  Br  Br24  1  0.75818751  0.74185901  0.25002330  1.0
  Br  Br25  1  0.74183941  0.99183595  0.98368121  1.0
  Br  Br26  1  0.99182093  0.50814737  0.25000667  1.0
  Br  Br27  1  0.50816965  0.75815859  0.51631993  1.0