# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39408915
_cell_length_b   10.44544305
_cell_length_c   47.10931923
_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   'Zr24 Cu12'
_cell_volume   1670.15562072
_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  Zr1  1  0.000201  0.852862  0.308274  1
  Zr  Zr2  1  0.500201  0.658437  0.343608  1
  Zr  Zr3  1  0.500201  0.346467  0.343608  1
  Zr  Zr4  1  0.000201  0.152042  0.308274  1
  Zr  Zr5  1  0.000201  0.854988  0.378507  1
  Zr  Zr6  1  0.500201  0.649994  0.413953  1
  Zr  Zr7  1  0.500201  0.354910  0.413953  1
  Zr  Zr8  1  0.000201  0.149916  0.378507  1
  Zr  Zr9  1  0.000201  0.852820  0.450591  1
  Zr  Zr10  1  0.500201  0.651688  0.486240  1
  Zr  Zr11  1  0.500201  0.353216  0.486240  1
  Zr  Zr12  1  0.000201  0.152084  0.450591  1
  Zr  Zr13  1  0.000201  0.853216  0.522825  1
  Zr  Zr14  1  0.500201  0.652084  0.558473  1
  Zr  Zr15  1  0.500201  0.352820  0.558473  1
  Zr  Zr16  1  0.000201  0.151688  0.522825  1
  Zr  Zr17  1  0.000201  0.854910  0.595111  1
  Zr  Zr18  1  0.500201  0.649916  0.630557  1
  Zr  Zr19  1  0.500201  0.354988  0.630557  1
  Zr  Zr20  1  0.000201  0.149994  0.595111  1
  Zr  Zr21  1  0.000201  0.846467  0.665457  1
  Zr  Zr22  1  0.500201  0.652042  0.700791  1
  Zr  Zr23  1  0.500201  0.352862  0.700791  1
  Zr  Zr24  1  0.000201  0.158437  0.665457  1
  Cu  Cu25  1  0.500201  0.002452  0.342372  1
  Cu  Cu26  1  0.000201  0.502452  0.314407  1
  Cu  Cu27  1  0.500201  0.002452  0.414944  1
  Cu  Cu28  1  0.000201  0.502452  0.376458  1
  Cu  Cu29  1  0.500201  0.002452  0.486718  1
  Cu  Cu30  1  0.000201  0.502452  0.450489  1
  Cu  Cu31  1  0.500201  0.002452  0.558575  1
  Cu  Cu32  1  0.000201  0.502452  0.522346  1
  Cu  Cu33  1  0.500201  0.002452  0.632607  1
  Cu  Cu34  1  0.000201  0.502452  0.594120  1
  Cu  Cu35  1  0.500201  0.002452  0.694657  1
  Cu  Cu36  1  0.000201  0.502452  0.666693  1
