# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13819685
_cell_length_b   3.13819685
_cell_length_c   50.80360487
_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   'Zr7 Cu7'
_cell_volume   500.328097835
_cell_formula_units_Z   7
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  1.014399  0.014399  0.260330  1
  Zr  Zr2  1  1.014399  0.014399  0.326144  1
  Zr  Zr3  1  1.014399  0.014399  0.393116  1
  Zr  Zr4  1  1.014399  0.014399  0.460022  1
  Zr  Zr5  1  1.014399  0.014399  0.526940  1
  Zr  Zr6  1  1.014399  0.014399  0.593807  1
  Zr  Zr7  1  1.014399  0.014399  0.660411  1
  Cu  Cu8  1  0.514399  0.514399  0.292929  1
  Cu  Cu9  1  0.514399  0.514399  0.359708  1
  Cu  Cu10  1  0.514399  0.514399  0.426558  1
  Cu  Cu11  1  0.514399  0.514399  0.493486  1
  Cu  Cu12  1  0.514399  0.514399  0.560287  1
  Cu  Cu13  1  0.514399  0.514399  0.627822  1
  Cu  Cu14  1  0.514399  0.514399  0.691188  1
