# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.80607277
_cell_length_b   4.51673839
_cell_length_c   46.01513001
_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   'Zr36 Cu18'
_cell_volume   2245.91583792
_cell_formula_units_Z   18
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  0.655994  0.503885  0.294441  1
  Zr  Zr2  1  0.856916  1.003885  0.294441  1
  Zr  Zr3  1  0.155994  1.003885  0.294441  1
  Zr  Zr4  1  0.356916  0.503885  0.294441  1
  Zr  Zr5  1  0.652888  1.003885  0.344681  1
  Zr  Zr6  1  0.860022  0.503885  0.344681  1
  Zr  Zr7  1  0.152888  0.503885  0.344681  1
  Zr  Zr8  1  0.360022  1.003885  0.344681  1
  Zr  Zr9  1  0.653082  0.503885  0.394036  1
  Zr  Zr10  1  0.859827  1.003885  0.394036  1
  Zr  Zr11  1  0.153082  1.003885  0.394036  1
  Zr  Zr12  1  0.359827  0.503885  0.394036  1
  Zr  Zr13  1  0.654024  1.003885  0.444629  1
  Zr  Zr14  1  0.858886  0.503885  0.444629  1
  Zr  Zr15  1  0.154024  0.503885  0.444629  1
  Zr  Zr16  1  0.358886  1.003885  0.444629  1
  Zr  Zr17  1  0.653038  0.503885  0.494602  1
  Zr  Zr18  1  0.859871  1.003885  0.494602  1
  Zr  Zr19  1  0.153038  1.003885  0.494602  1
  Zr  Zr20  1  0.359871  0.503885  0.494602  1
  Zr  Zr21  1  0.654024  1.003885  0.544574  1
  Zr  Zr22  1  0.858886  0.503885  0.544574  1
  Zr  Zr23  1  0.154024  0.503885  0.544574  1
  Zr  Zr24  1  0.358886  1.003885  0.544574  1
  Zr  Zr25  1  0.653082  0.503885  0.595168  1
  Zr  Zr26  1  0.859827  1.003885  0.595168  1
  Zr  Zr27  1  0.153082  1.003885  0.595168  1
  Zr  Zr28  1  0.359827  0.503885  0.595168  1
  Zr  Zr29  1  0.652888  1.003885  0.644522  1
  Zr  Zr30  1  0.860022  0.503885  0.644522  1
  Zr  Zr31  1  0.152888  0.503885  0.644522  1
  Zr  Zr32  1  0.360022  1.003885  0.644522  1
  Zr  Zr33  1  0.655994  0.503885  0.694762  1
  Zr  Zr34  1  0.856916  1.003885  0.694762  1
  Zr  Zr35  1  0.155994  1.003885  0.694762  1
  Zr  Zr36  1  0.356916  0.503885  0.694762  1
  Cu  Cu37  1  0.506455  1.003885  0.296518  1
  Cu  Cu38  1  0.006455  0.503885  0.296518  1
  Cu  Cu39  1  0.506455  0.503885  0.342822  1
  Cu  Cu40  1  0.006455  1.003885  0.342822  1
  Cu  Cu41  1  0.506455  1.003885  0.395216  1
  Cu  Cu42  1  0.006455  0.503885  0.395216  1
  Cu  Cu43  1  0.506455  0.503885  0.444081  1
  Cu  Cu44  1  0.006455  1.003885  0.444081  1
  Cu  Cu45  1  0.506455  1.003885  0.494602  1
  Cu  Cu46  1  0.006455  0.503885  0.494602  1
  Cu  Cu47  1  0.506455  0.503885  0.545122  1
  Cu  Cu48  1  0.006455  1.003885  0.545122  1
  Cu  Cu49  1  0.506455  1.003885  0.593987  1
  Cu  Cu50  1  0.006455  0.503885  0.593987  1
  Cu  Cu51  1  0.506455  0.503885  0.646381  1
  Cu  Cu52  1  0.006455  1.003885  0.646381  1
  Cu  Cu53  1  0.506455  1.003885  0.692685  1
  Cu  Cu54  1  0.006455  0.503885  0.692685  1
