# generated using pymatgen
data_Tb12B3PBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81473635
_cell_length_b   9.81473573
_cell_length_c   9.81473655
_cell_angle_alpha   109.71293474
_cell_angle_beta   109.71293180
_cell_angle_gamma   109.71293369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb12B3PBr12
_chemical_formula_sum   'Tb12 B3 P1 Br12'
_cell_volume   721.21652265
_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
  Tb  Tb0  1  0.46800975  0.49314014  0.22639679  1.0
  Tb  Tb1  1  0.75000000  0.22907597  0.27092403  1.0
  Tb  Tb2  1  0.75000000  0.01900258  0.48099742  1.0
  Tb  Tb3  1  0.22639679  0.46800975  0.49314014  1.0
  Tb  Tb4  1  0.27092403  0.75000000  0.22907597  1.0
  Tb  Tb5  1  0.03199025  0.27360321  0.00685986  1.0
  Tb  Tb6  1  0.00685986  0.03199025  0.27360321  1.0
  Tb  Tb7  1  0.48099742  0.75000000  0.01900258  1.0
  Tb  Tb8  1  0.49314014  0.22639679  0.46800975  1.0
  Tb  Tb9  1  0.01900258  0.48099742  0.75000000  1.0
  Tb  Tb10  1  0.27360321  0.00685986  0.03199025  1.0
  Tb  Tb11  1  0.22907597  0.27092403  0.75000000  1.0
  B  B12  1  0.49986037  0.00013963  0.25000000  1.0
  B  B13  1  0.00013963  0.25000000  0.49986037  1.0
  B  B14  1  0.25000000  0.49986037  0.00013963  1.0
  P  P15  1  0.25000000  0.25000000  0.25000000  1.0
  Br  Br16  1  0.25000000  0.75884012  0.74115988  1.0
  Br  Br17  1  0.51446487  0.50701374  0.75701521  1.0
  Br  Br18  1  0.98553513  0.74298479  0.99298626  1.0
  Br  Br19  1  0.74115988  0.25000000  0.75884012  1.0
  Br  Br20  1  0.99298626  0.98553513  0.74298479  1.0
  Br  Br21  1  0.25000000  0.99335186  0.50664814  1.0
  Br  Br22  1  0.75701521  0.51446487  0.50701374  1.0
  Br  Br23  1  0.50664814  0.25000000  0.99335186  1.0
  Br  Br24  1  0.75884012  0.74115988  0.25000000  1.0
  Br  Br25  1  0.74298479  0.99298626  0.98553513  1.0
  Br  Br26  1  0.99335186  0.50664814  0.25000000  1.0
  Br  Br27  1  0.50701374  0.75701521  0.51446487  1.0