# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43041708
_cell_length_b   4.41954146
_cell_length_c   46.71057305
_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   'Zr9 Cu9'
_cell_volume   708.172950129
_cell_formula_units_Z   9
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  0.000986  0.252861  0.309196  1
  Zr  Zr2  1  0.000986  0.752861  0.356279  1
  Zr  Zr3  1  0.000986  0.252861  0.404115  1
  Zr  Zr4  1  0.000986  0.752861  0.451924  1
  Zr  Zr5  1  0.000986  0.252861  0.499573  1
  Zr  Zr6  1  0.000986  0.752861  0.547222  1
  Zr  Zr7  1  0.000986  0.252861  0.595031  1
  Zr  Zr8  1  0.000986  0.752861  0.642868  1
  Zr  Zr9  1  0.000986  0.252861  0.689950  1
  Cu  Cu10  1  0.500986  0.752861  0.309864  1
  Cu  Cu11  1  0.500986  0.252861  0.356215  1
  Cu  Cu12  1  0.500986  0.752861  0.404300  1
  Cu  Cu13  1  0.500986  0.252861  0.451845  1
  Cu  Cu14  1  0.500986  0.752861  0.499573  1
  Cu  Cu15  1  0.500986  0.252861  0.547301  1
  Cu  Cu16  1  0.500986  0.752861  0.594847  1
  Cu  Cu17  1  0.500986  0.252861  0.642931  1
  Cu  Cu18  1  0.500986  0.752861  0.689282  1
