# 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   48.58332809
_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   1112.12606601
_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  0.536823  0.332316  1
  Zr  Zr2  1  0.521318  0.944850  0.302839  1
  Zr  Zr3  1  0.521318  0.738613  0.394494  1
  Zr  Zr4  1  0.521318  0.137178  0.362257  1
  Zr  Zr5  1  0.521318  0.937080  0.457245  1
  Zr  Zr6  1  0.521318  0.337061  0.425661  1
  Zr  Zr7  1  0.521318  0.136969  0.520082  1
  Zr  Zr8  1  0.521318  0.537042  0.488641  1
  Zr  Zr9  1  0.521318  0.337529  0.582898  1
  Zr  Zr10  1  0.521318  0.736634  0.551400  1
  Zr  Zr11  1  0.521318  0.534342  0.646497  1
  Zr  Zr12  1  0.521318  0.937116  0.614044  1
  Zr  Zr13  1  0.521318  0.738326  0.704709  1
  Zr  Zr14  1  0.521318  0.136042  0.676946  1
  Cu  Cu15  1  1.021318  0.655537  0.289428  1
  Cu  Cu16  1  1.021318  0.246186  0.315113  1
  Cu  Cu17  1  1.021318  0.833115  0.347276  1
  Cu  Cu18  1  1.021318  0.436550  0.378885  1
  Cu  Cu19  1  1.021318  0.038394  0.410120  1
  Cu  Cu20  1  1.021318  0.637003  0.441468  1
  Cu  Cu21  1  1.021318  0.237207  0.472817  1
  Cu  Cu22  1  1.021318  0.837096  0.504316  1
  Cu  Cu23  1  1.021318  0.436840  0.535787  1
  Cu  Cu24  1  1.021318  0.036840  0.567221  1
  Cu  Cu25  1  1.021318  0.636600  0.598825  1
  Cu  Cu26  1  1.021318  0.236173  0.630075  1
  Cu  Cu27  1  1.021318  0.839204  0.660022  1
  Cu  Cu28  1  1.021318  0.434945  0.693250  1
