# generated using pymatgen
data_Zr3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18060890
_cell_length_b   6.18060890
_cell_length_c   5.40411000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Br
_chemical_formula_sum   'Zr6 Br2'
_cell_volume   178.77936463
_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  0.16207800  0.32415600  0.25000000  1.0
  Zr  Zr1  1  0.67584400  0.83792200  0.25000000  1.0
  Zr  Zr2  1  0.16207800  0.83792200  0.25000000  1.0
  Zr  Zr3  1  0.83792200  0.67584400  0.75000000  1.0
  Zr  Zr4  1  0.32415600  0.16207800  0.75000000  1.0
  Zr  Zr5  1  0.83792200  0.16207800  0.75000000  1.0
  Br  Br6  1  0.33333300  0.66666700  0.75000000  1.0
  Br  Br7  1  0.66666700  0.33333300  0.25000000  1.0