[CIF]
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23223124
_cell_length_b   3.23223124
_cell_length_c   5.18137036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr2
_cell_volume   46.87919166
_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  1.86612958  1.29534259  1
  Zr  Zr1  1  1.61611562  0.93306479  3.88602777  1
[/CIF]
