# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17937403
_cell_length_b   11.31164449
_cell_length_c   50.02366561
_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   'Zr28 Cu14'
_cell_volume   1799.04854442
_cell_formula_units_Z   14
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  0.506174  0.940859  0.328524  1
  Zr  Zr2  1  1.006174  0.789226  0.286785  1
  Zr  Zr3  1  1.006174  0.440859  0.328524  1
  Zr  Zr4  1  0.506174  0.289226  0.286785  1
  Zr  Zr5  1  0.506174  0.856233  0.390550  1
  Zr  Zr6  1  1.006174  0.708075  0.345622  1
  Zr  Zr7  1  1.006174  0.356233  0.390550  1
  Zr  Zr8  1  0.506174  0.208075  0.345622  1
  Zr  Zr9  1  0.506174  0.774226  0.453246  1
  Zr  Zr10  1  1.006174  0.626702  0.409054  1
  Zr  Zr11  1  1.006174  0.274226  0.453246  1
  Zr  Zr12  1  0.506174  0.126702  0.409054  1
  Zr  Zr13  1  0.506174  0.691437  0.515978  1
  Zr  Zr14  1  1.006174  0.543762  0.471680  1
  Zr  Zr15  1  1.006174  0.191437  0.515978  1
  Zr  Zr16  1  0.506174  0.043762  0.471680  1
  Zr  Zr17  1  0.506174  0.608497  0.578604  1
  Zr  Zr18  1  1.006174  0.460972  0.534413  1
  Zr  Zr19  1  1.006174  0.108497  0.578604  1
  Zr  Zr20  1  0.506174  0.960972  0.534413  1
  Zr  Zr21  1  0.506174  0.527124  0.642036  1
  Zr  Zr22  1  1.006174  0.378965  0.597108  1
  Zr  Zr23  1  1.006174  0.027124  0.642036  1
  Zr  Zr24  1  0.506174  0.878965  0.597108  1
  Zr  Zr25  1  0.506174  0.445972  0.700873  1
  Zr  Zr26  1  1.006174  0.294339  0.659134  1
  Zr  Zr27  1  1.006174  0.945972  0.700873  1
  Zr  Zr28  1  0.506174  0.794339  0.659134  1
  Cu  Cu29  1  1.006174  0.108734  0.304865  1
  Cu  Cu30  1  0.506174  0.608734  0.304865  1
  Cu  Cu31  1  1.006174  0.034358  0.368607  1
  Cu  Cu32  1  0.506174  0.534358  0.368607  1
  Cu  Cu33  1  1.006174  0.950254  0.431007  1
  Cu  Cu34  1  0.506174  0.450254  0.431007  1
  Cu  Cu35  1  1.006174  0.867599  0.493829  1
  Cu  Cu36  1  0.506174  0.367599  0.493829  1
  Cu  Cu37  1  1.006174  0.784945  0.556652  1
  Cu  Cu38  1  0.506174  0.284945  0.556652  1
  Cu  Cu39  1  1.006174  0.700840  0.619051  1
  Cu  Cu40  1  0.506174  0.200840  0.619051  1
  Cu  Cu41  1  1.006174  0.626464  0.682793  1
  Cu  Cu42  1  0.506174  0.126464  0.682793  1
