# generated using pymatgen
data_Zr2BBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58006398
_cell_length_b   3.58006536
_cell_length_c   9.83154405
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BBr2
_chemical_formula_sum   'Zr2 B1 Br2'
_cell_volume   109.12747846
_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  0.33333300  0.66666600  0.37104864  1.0
  Zr  Zr1  1  0.66666600  0.33333500  0.62895136  1.0
  B  B2  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br3  1  0.66666600  0.33333500  0.17822587  1.0
  Br  Br4  1  0.33333300  0.66666600  0.82177413  1.0