# generated using pymatgen
data_Tb3LuBBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93556770
_cell_length_b   13.04970405
_cell_length_c   13.50641805
_cell_angle_alpha   89.33138200
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3LuBBr6
_chemical_formula_sum   'Tb6 Lu2 B2 Br12'
_cell_volume   693.61530319
_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  0.00000000  0.10251855  0.08159585  1.0
  Tb  Tb1  1  0.00000000  0.89748145  0.91840415  1.0
  Tb  Tb2  1  0.50000000  0.12526831  0.85344296  1.0
  Tb  Tb3  1  0.50000000  0.87473169  0.14655704  1.0
  Tb  Tb4  1  0.50000000  0.62282490  0.64406871  1.0
  Tb  Tb5  1  0.50000000  0.37717510  0.35593129  1.0
  Lu  Lu6  1  0.00000000  0.59823880  0.42160924  1.0
  Lu  Lu7  1  0.00000000  0.40176120  0.57839076  1.0
  B  B8  1  0.50000000  0.00000000  0.00000000  1.0
  B  B9  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br10  1  0.50000000  0.27354963  0.67868290  1.0
  Br  Br11  1  0.50000000  0.72645037  0.32131710  1.0
  Br  Br12  1  0.50000000  0.76623878  0.81624248  1.0
  Br  Br13  1  0.50000000  0.23376122  0.18375752  1.0
  Br  Br14  1  0.00000000  0.26450395  0.93021954  1.0
  Br  Br15  1  0.00000000  0.73549605  0.06978046  1.0
  Br  Br16  1  0.00000000  0.48617217  0.24067256  1.0
  Br  Br17  1  0.00000000  0.51382783  0.75932744  1.0
  Br  Br18  1  0.00000000  0.97944671  0.26399201  1.0
  Br  Br19  1  0.00000000  0.02055329  0.73600799  1.0
  Br  Br20  1  0.00000000  0.23916194  0.43705079  1.0
  Br  Br21  1  0.00000000  0.76083806  0.56294921  1.0