# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38100624
_cell_length_b   3.38100624
_cell_length_c   52.22038812
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr8 Cu4'
_cell_volume   596.941865926
_cell_formula_units_Z   4
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  Zr1  1  0.002136  0.002136  0.488580  1
  Zr  Zr2  1  0.502136  0.502136  0.447705  1
  Zr  Zr3  1  0.502136  0.502136  0.387293  1
  Zr  Zr4  1  0.002136  0.002136  0.348687  1
  Zr  Zr5  1  0.002136  0.002136  0.690077  1
  Zr  Zr6  1  0.502136  0.502136  0.649844  1
  Zr  Zr7  1  0.502136  0.502136  0.589614  1
  Zr  Zr8  1  0.002136  0.002136  0.548707  1
  Cu  Cu9  1  0.502136  0.502136  0.323651  1
  Cu  Cu10  1  0.002136  0.002136  0.417654  1
  Cu  Cu11  1  0.502136  0.502136  0.518637  1
  Cu  Cu12  1  0.002136  0.002136  0.619763  1
