# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49986675
_cell_length_b   8.32023746
_cell_length_c   6.20045361
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr12
_cell_volume   283.73398090
_cell_formula_units_Z   12
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  0.50000000  0.75000000  0.00000000  1
  Zr  Zr1  1  0.00000000  0.75000000  0.50000000  1
  Zr  Zr2  1  0.08244300  0.00000000  0.82289300  1
  Zr  Zr3  1  0.91755700  0.50000000  0.82289300  1
  Zr  Zr4  1  0.41755700  0.50000000  0.67710700  1
  Zr  Zr5  1  0.58244300  0.00000000  0.67710700  1
  Zr  Zr6  1  0.00000000  0.25000000  0.50000000  1
  Zr  Zr7  1  0.50000000  0.25000000  0.00000000  1
  Zr  Zr8  1  0.58244300  0.50000000  0.32289300  1
  Zr  Zr9  1  0.41755700  0.00000000  0.32289300  1
  Zr  Zr10  1  0.91755700  0.00000000  0.17710700  1
  Zr  Zr11  1  0.08244300  0.50000000  0.17710700  1
