# generated using pymatgen
data_ZrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53120900
_cell_length_b   3.53120900
_cell_length_c   10.03676896
_cell_angle_alpha   76.52874015
_cell_angle_beta   76.52874015
_cell_angle_gamma   60.22704183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBr
_chemical_formula_sum   'Zr2 Br2'
_cell_volume   104.61923463
_cell_formula_units_Z   2
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  0.27940164  0.27940164  0.62067763  1.0
  Zr  Zr1  1  0.72059836  0.72059836  0.37932237  1.0
  Br  Br2  1  0.85905967  0.85905967  0.81560392  1.0
  Br  Br3  1  0.14094033  0.14094033  0.18439608  1.0