# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11690184
_cell_length_b   7.21604034
_cell_length_c   47.57379167
_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   1070.0149457
_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  1.017913  0.516413  0.304594  1
  Zr  Zr2  1  1.017913  0.121527  0.278033  1
  Zr  Zr3  1  1.017913  0.308133  0.368732  1
  Zr  Zr4  1  1.017913  0.909673  0.335747  1
  Zr  Zr5  1  1.017913  0.088522  0.430597  1
  Zr  Zr6  1  1.017913  0.698081  0.398663  1
  Zr  Zr7  1  1.017913  0.871338  0.493005  1
  Zr  Zr8  1  1.017913  0.480342  0.462418  1
  Zr  Zr9  1  1.017913  0.651964  0.556140  1
  Zr  Zr10  1  1.017913  0.262711  0.525619  1
  Zr  Zr11  1  1.017913  0.442661  0.621258  1
  Zr  Zr12  1  1.017913  0.048672  0.587298  1
  Zr  Zr13  1  1.017913  0.236819  0.679716  1
  Zr  Zr14  1  1.017913  0.832581  0.648314  1
  Cu  Cu15  1  0.517913  0.220013  0.323066  1
  Cu  Cu16  1  0.517913  0.818997  0.289204  1
  Cu  Cu17  1  0.517913  0.001985  0.382767  1
  Cu  Cu18  1  0.517913  0.607447  0.350896  1
  Cu  Cu19  1  0.517913  0.781302  0.445801  1
  Cu  Cu20  1  0.517913  0.396987  0.415816  1
  Cu  Cu21  1  0.517913  0.567296  0.509267  1
  Cu  Cu22  1  0.517913  0.177606  0.478138  1
  Cu  Cu23  1  0.517913  0.356442  0.573789  1
  Cu  Cu24  1  0.517913  0.953424  0.540133  1
  Cu  Cu25  1  0.517913  0.131865  0.635043  1
  Cu  Cu26  1  0.517913  0.738125  0.602048  1
  Cu  Cu27  1  0.517913  0.931067  0.690759  1
  Cu  Cu28  1  0.517913  0.554326  0.669891  1
