# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68538822
_cell_length_b   8.68538988
_cell_length_c   8.68538987
_cell_angle_alpha   59.99998737
_cell_angle_beta   60.00000636
_cell_angle_gamma   60.00000627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr16 Cu8'
_cell_volume   463.28994377
_cell_formula_units_Z   8
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  0.93528870  0.56471130  0.56471130  1.0
  Zr  Zr1  1  0.93528875  0.56471125  0.93528875  1.0
  Zr  Zr2  1  0.68528870  0.31471130  0.31471130  1.0
  Zr  Zr3  1  0.31471130  0.31471130  0.68528870  1.0
  Zr  Zr4  1  0.31471130  0.68528870  0.68528870  1.0
  Zr  Zr5  1  0.56471130  0.56471130  0.93528870  1.0
  Zr  Zr6  1  0.56471130  0.93528870  0.93528870  1.0
  Zr  Zr7  1  0.12500000  0.12500000  0.12500000  1.0
  Zr  Zr8  1  0.93528870  0.93528870  0.56471130  1.0
  Zr  Zr9  1  0.31471125  0.68528875  0.31471125  1.0
  Zr  Zr10  1  0.56471125  0.93528875  0.56471125  1.0
  Zr  Zr11  1  0.68528875  0.31471125  0.68528875  1.0
  Zr  Zr12  1  0.68528870  0.68528870  0.31471130  1.0
  Zr  Zr13  1  0.12500000  0.62500000  0.12500000  1.0
  Zr  Zr14  1  0.12500000  0.12500000  0.62500000  1.0
  Zr  Zr15  1  0.62500000  0.12500000  0.12500000  1.0
  Cu  Cu16  1  0.99892984  0.33369057  0.33369030  1.0
  Cu  Cu17  1  0.33369057  0.99892984  0.33369028  1.0
  Cu  Cu18  1  0.91630972  0.91630970  0.91630943  1.0
  Cu  Cu19  1  0.25107016  0.91630943  0.91630970  1.0
  Cu  Cu20  1  0.91630943  0.25107016  0.91630972  1.0
  Cu  Cu21  1  0.91630970  0.91630972  0.25107016  1.0
  Cu  Cu22  1  0.33369030  0.33369028  0.99892984  1.0
  Cu  Cu23  1  0.33369028  0.33369030  0.33369057  1.0