# generated using pymatgen
data_TbNiBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05488829
_cell_length_b   9.05488691
_cell_length_c   9.05488743
_cell_angle_alpha   94.00678787
_cell_angle_beta   94.00678991
_cell_angle_gamma   94.00679261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNiBr18
_chemical_formula_sum   'Tb1 Ni1 Br18'
_cell_volume   736.70665572
_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  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br2  1  0.27398087  0.99852576  0.03847941  1.0
  Br  Br3  1  0.03847941  0.27398087  0.99852576  1.0
  Br  Br4  1  0.99852576  0.03847941  0.27398087  1.0
  Br  Br5  1  0.72601913  0.00147424  0.96152059  1.0
  Br  Br6  1  0.96152059  0.72601913  0.00147424  1.0
  Br  Br7  1  0.00147424  0.96152059  0.72601913  1.0
  Br  Br8  1  0.63509464  0.22860879  0.08670674  1.0
  Br  Br9  1  0.08670674  0.63509464  0.22860879  1.0
  Br  Br10  1  0.22860879  0.08670674  0.63509464  1.0
  Br  Br11  1  0.36490536  0.77139121  0.91329326  1.0
  Br  Br12  1  0.91329326  0.36490536  0.77139121  1.0
  Br  Br13  1  0.77139121  0.91329326  0.36490536  1.0
  Br  Br14  1  0.46735110  0.19227737  0.52197047  1.0
  Br  Br15  1  0.52197047  0.46735110  0.19227737  1.0
  Br  Br16  1  0.19227737  0.52197047  0.46735110  1.0
  Br  Br17  1  0.53264890  0.80772263  0.47802953  1.0
  Br  Br18  1  0.47802953  0.53264890  0.80772263  1.0
  Br  Br19  1  0.80772263  0.47802953  0.53264890  1.0