# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40788828
_cell_length_b   11.26874925
_cell_length_c   48.39023761
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr24 Cu24'
_cell_volume   1858.31280308
_cell_formula_units_Z   24
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  1.004298  0.272485  0.316496  1
  Zr  Zr2  1  1.004298  0.040779  0.274783  1
  Zr  Zr3  1  1.004298  0.658159  0.300181  1
  Zr  Zr4  1  1.004298  0.112285  0.366515  1
  Zr  Zr5  1  1.004298  0.884754  0.333242  1
  Zr  Zr6  1  1.004298  0.498223  0.349371  1
  Zr  Zr7  1  1.004298  0.955248  0.426220  1
  Zr  Zr8  1  1.004298  0.728633  0.392998  1
  Zr  Zr9  1  1.004298  0.343435  0.409263  1
  Zr  Zr10  1  1.004298  0.799083  0.485997  1
  Zr  Zr11  1  1.004298  0.568087  0.442764  1
  Zr  Zr12  1  1.004298  0.182256  0.459057  1
  Zr  Zr13  1  1.004298  0.638137  0.535687  1
  Zr  Zr14  1  1.004298  0.413384  0.502146  1
  Zr  Zr15  1  1.004298  0.025600  0.518984  1
  Zr  Zr16  1  1.004298  0.483717  0.595063  1
  Zr  Zr17  1  1.004298  0.252421  0.551820  1
  Zr  Zr18  1  1.004298  0.869164  0.578839  1
  Zr  Zr19  1  1.004298  0.322865  0.645502  1
  Zr  Zr20  1  1.004298  0.096002  0.611724  1
  Zr  Zr21  1  1.004298  0.709541  0.629088  1
  Zr  Zr22  1  1.004298  0.176578  0.701786  1
  Zr  Zr23  1  1.004298  0.939726  0.672106  1
  Zr  Zr24  1  1.004298  0.557559  0.686920  1
  Cu  Cu25  1  0.504298  0.456955  0.301557  1
  Cu  Cu26  1  0.504298  0.235794  0.273992  1
  Cu  Cu27  1  0.504298  0.852581  0.288021  1
  Cu  Cu28  1  0.504298  0.310859  0.364196  1
  Cu  Cu29  1  0.504298  0.075169  0.318588  1
  Cu  Cu30  1  0.504298  0.694756  0.347557  1
  Cu  Cu31  1  0.504298  0.145558  0.411387  1
  Cu  Cu32  1  0.504298  0.920679  0.379985  1
  Cu  Cu33  1  0.504298  0.531444  0.394858  1
  Cu  Cu34  1  0.504298  0.990706  0.472589  1
  Cu  Cu35  1  0.504298  0.765337  0.440906  1
  Cu  Cu36  1  0.504298  0.379823  0.457094  1
  Cu  Cu37  1  0.504298  0.835695  0.533875  1
  Cu  Cu38  1  0.504298  0.601657  0.487785  1
  Cu  Cu39  1  0.504298  0.215632  0.504037  1
  Cu  Cu40  1  0.504298  0.672118  0.580635  1
  Cu  Cu41  1  0.504298  0.449864  0.550087  1
  Cu  Cu42  1  0.504298  0.060925  0.565366  1
  Cu  Cu43  1  0.504298  0.520799  0.642884  1
  Cu  Cu44  1  0.504298  0.286015  0.596753  1
  Cu  Cu45  1  0.504298  0.906311  0.626951  1
  Cu  Cu46  1  0.504298  0.363345  0.689698  1
  Cu  Cu47  1  0.504298  0.129101  0.657483  1
  Cu  Cu48  1  0.504298  0.744213  0.673327  1
