# generated using pymatgen
data_TmLu7(BBr6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84255294
_cell_length_b   12.77380874
_cell_length_c   13.19355044
_cell_angle_alpha   90.16517616
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmLu7(BBr6)2
_chemical_formula_sum   'Tm1 Lu7 B2 Br12'
_cell_volume   647.59001810
_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  0.12304607  0.85628082  1.0
  Lu  Lu1  1  0.00000000  0.09980289  0.08066050  1.0
  Lu  Lu2  1  0.00000000  0.89977622  0.91980850  1.0
  Lu  Lu3  1  0.00000000  0.60043701  0.41923102  1.0
  Lu  Lu4  1  0.00000000  0.40031455  0.57992932  1.0
  Lu  Lu5  1  0.50000000  0.87737353  0.14340014  1.0
  Lu  Lu6  1  0.50000000  0.62296772  0.64308923  1.0
  Lu  Lu7  1  0.50000000  0.37760089  0.35635472  1.0
  B  B8  1  0.50000000  0.99944311  0.00066211  1.0
  B  B9  1  0.50000000  0.50048714  0.49959655  1.0
  Br  Br10  1  0.50000000  0.26959234  0.68236748  1.0
  Br  Br11  1  0.50000000  0.73111958  0.31623079  1.0
  Br  Br12  1  0.50000000  0.76784250  0.81694007  1.0
  Br  Br13  1  0.50000000  0.23071349  0.18453884  1.0
  Br  Br14  1  0.00000000  0.26426029  0.93437392  1.0
  Br  Br15  1  0.00000000  0.73693210  0.06821554  1.0
  Br  Br16  1  0.00000000  0.47959583  0.23664351  1.0
  Br  Br17  1  0.00000000  0.52061493  0.76254471  1.0
  Br  Br18  1  0.00000000  0.97961844  0.26340142  1.0
  Br  Br19  1  0.00000000  0.01780412  0.73610787  1.0
  Br  Br20  1  0.00000000  0.23750588  0.43157486  1.0
  Br  Br21  1  0.00000000  0.76315037  0.56804711  1.0