# generated using pymatgen
data_ZrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95081162
_cell_length_b   6.95081127
_cell_length_c   6.22391762
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBr3
_chemical_formula_sum   'Zr2 Br6'
_cell_volume   260.41468737
_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  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr1  1  0.00000000  0.00000000  -0.00000000  1.0
  Br  Br2  1  0.68226876  0.00000000  0.75000000  1.0
  Br  Br3  1  0.68226876  0.68226876  0.25000000  1.0
  Br  Br4  1  0.31773124  0.00000000  0.25000000  1.0
  Br  Br5  1  0.31773124  0.31773124  0.75000000  1.0
  Br  Br6  1  0.00000000  0.68226876  0.75000000  1.0
  Br  Br7  1  -0.00000000  0.31773124  0.25000000  1.0