# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01444296
_cell_length_b   7.59380930
_cell_length_c   48.58122561
_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   'Zr14 Cu14'
_cell_volume   1112.07793801
_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  0.521318  0.232820  0.276934  1
  Zr  Zr2  1  0.521318  0.640847  0.306413  1
  Zr  Zr3  1  0.521318  0.040492  0.336355  1
  Zr  Zr4  1  0.521318  0.439058  0.368593  1
  Zr  Zr5  1  0.521318  0.840609  0.399762  1
  Zr  Zr6  1  0.521318  0.240590  0.431347  1
  Zr  Zr7  1  0.521318  0.640628  0.462745  1
  Zr  Zr8  1  0.521318  0.040702  0.494187  1
  Zr  Zr9  1  0.521318  0.441036  0.525507  1
  Zr  Zr10  1  0.521318  0.840141  0.557006  1
  Zr  Zr11  1  0.521318  0.240555  0.588153  1
  Zr  Zr12  1  0.521318  0.643328  0.620608  1
  Zr  Zr13  1  0.521318  0.041629  0.651058  1
  Zr  Zr14  1  0.521318  0.439345  0.678822  1
  Cu  Cu15  1  1.021318  0.522133  0.263523  1
  Cu  Cu16  1  1.021318  0.931484  0.289209  1
  Cu  Cu17  1  1.021318  0.344555  0.321374  1
  Cu  Cu18  1  1.021318  0.741120  0.352984  1
  Cu  Cu19  1  1.021318  0.139277  0.384220  1
  Cu  Cu20  1  1.021318  0.540667  0.415570  1
  Cu  Cu21  1  1.021318  0.940463  0.446920  1
  Cu  Cu22  1  1.021318  0.340574  0.478420  1
  Cu  Cu23  1  1.021318  0.740831  0.509893  1
  Cu  Cu24  1  1.021318  0.140830  0.541328  1
  Cu  Cu25  1  1.021318  0.541070  0.572934  1
  Cu  Cu26  1  1.021318  0.941497  0.604185  1
  Cu  Cu27  1  1.021318  0.338466  0.634133  1
  Cu  Cu28  1  1.021318  0.742725  0.667362  1
