# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00884500
_cell_length_b   3.39633342
_cell_length_c   51.08056424
_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   521.994371543
_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  0.522288  0.006014  0.277687  1
  Zr  Zr2  1  0.522288  0.006014  0.344375  1
  Zr  Zr3  1  0.522288  0.006014  0.411179  1
  Zr  Zr4  1  0.522288  0.006014  0.478069  1
  Zr  Zr5  1  0.522288  0.006014  0.544940  1
  Zr  Zr6  1  0.522288  0.006014  0.611948  1
  Zr  Zr7  1  0.522288  0.006014  0.677837  1
  Cu  Cu8  1  1.022288  0.506014  0.246607  1
  Cu  Cu9  1  1.022288  0.506014  0.310523  1
  Cu  Cu10  1  1.022288  0.506014  0.377815  1
  Cu  Cu11  1  1.022288  0.506014  0.444633  1
  Cu  Cu12  1  1.022288  0.506014  0.511524  1
  Cu  Cu13  1  1.022288  0.506014  0.578308  1
  Cu  Cu14  1  1.022288  0.506014  0.645166  1
