# generated using pymatgen
data_TmPbBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33649241
_cell_length_b   9.33306436
_cell_length_c   9.34865809
_cell_angle_alpha   87.19793720
_cell_angle_beta   87.27612213
_cell_angle_gamma   87.22667164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmPbBr18
_chemical_formula_sum   'Tm1 Pb1 Br18'
_cell_volume   811.86422025
_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
  Tm  Tm0  1  0.50000000  0.50000000  0.50000000  1.0
  Pb  Pb1  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br2  1  0.79465023  0.45948165  0.50286635  1.0
  Br  Br3  1  0.50308517  0.79489867  0.45854384  1.0
  Br  Br4  1  0.46144788  0.50316183  0.79451168  1.0
  Br  Br5  1  0.20534977  0.54051835  0.49713365  1.0
  Br  Br6  1  0.49691483  0.20510133  0.54145616  1.0
  Br  Br7  1  0.53855212  0.49683817  0.20548832  1.0
  Br  Br8  1  0.89797229  0.38023630  0.74747311  1.0
  Br  Br9  1  0.74816885  0.89807146  0.38006998  1.0
  Br  Br10  1  0.38110340  0.74743783  0.89772189  1.0
  Br  Br11  1  0.10202771  0.61976370  0.25252689  1.0
  Br  Br12  1  0.25183115  0.10192854  0.61993002  1.0
  Br  Br13  1  0.61889660  0.25256217  0.10227811  1.0
  Br  Br14  1  0.02484801  0.97679123  0.68851155  1.0
  Br  Br15  1  0.68824580  0.02552963  0.97716334  1.0
  Br  Br16  1  0.97615010  0.68830939  0.02597729  1.0
  Br  Br17  1  0.97515199  0.02320877  0.31148845  1.0
  Br  Br18  1  0.31175420  0.97447037  0.02283666  1.0
  Br  Br19  1  0.02384990  0.31169061  0.97402271  1.0