# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43104158
_cell_length_b   5.86641357
_cell_length_c   5.86641357
_cell_angle_alpha   90.55037122
_cell_angle_beta   62.39620551
_cell_angle_gamma   62.39620551
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr6
_cell_volume   140.66481173
_cell_formula_units_Z   6
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  0.75000000  0.74989749  0.25010251  1.0
  Zr  Zr1  1  0.25000000  0.25010251  0.74989749  1.0
  Zr  Zr2  1  0.42154170  0.32274252  0.17751026  1.0
  Zr  Zr3  1  0.07845830  0.82248974  0.67725748  1.0
  Zr  Zr4  1  0.57845830  0.67725748  0.82248974  1.0
  Zr  Zr5  1  0.92154170  0.17751026  0.32274252  1.0