# generated using pymatgen
data_Zr(TiBr4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12035759
_cell_length_b   11.89532212
_cell_length_c   6.86157548
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.92319318
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(TiBr4)3
_chemical_formula_sum   'Zr1 Ti3 Br12'
_cell_volume   499.54711990
_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
  Zr  Zr0  1  0.25006529  0.00000000  0.24813546  1.0
  Ti  Ti1  1  0.74997165  0.00000000  0.24827883  1.0
  Ti  Ti2  1  0.24967480  0.50000000  0.75181041  1.0
  Ti  Ti3  1  0.75027041  0.50000000  0.75178924  1.0
  Br  Br4  1  0.99956720  0.50000000  0.05463479  1.0
  Br  Br5  1  0.99213350  0.15611490  0.09289682  1.0
  Br  Br6  1  0.99213350  0.84388610  0.09289682  1.0
  Br  Br7  1  0.50787627  0.15602303  0.40382742  1.0
  Br  Br8  1  0.50787627  0.84397697  0.40382742  1.0
  Br  Br9  1  0.50030434  0.50000000  0.44950617  1.0
  Br  Br10  1  0.99146583  0.00000000  0.56048626  1.0
  Br  Br11  1  0.00050424  0.34898213  0.59952016  1.0
  Br  Br12  1  0.00050424  0.65101887  0.59952016  1.0
  Br  Br13  1  0.49949653  0.34868799  0.90341669  1.0
  Br  Br14  1  0.49949653  0.65131301  0.90341669  1.0
  Br  Br15  1  0.50866740  0.00000000  0.93604565  1.0