# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16371774
_cell_length_b   3.16371774
_cell_length_c   55.85468184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr8 Cu4'
_cell_volume   559.055652419
_cell_formula_units_Z   4
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  0.508679  0.508679  0.376556  1
  Zr  Zr2  1  1.008679  1.008679  0.335404  1
  Zr  Zr3  1  1.008679  1.008679  0.476938  1
  Zr  Zr4  1  0.508679  0.508679  0.435383  1
  Zr  Zr5  1  0.508679  0.508679  0.577283  1
  Zr  Zr6  1  1.008679  1.008679  0.535728  1
  Zr  Zr7  1  1.008679  1.008679  0.677916  1
  Zr  Zr8  1  0.508679  0.508679  0.636076  1
  Cu  Cu9  1  1.008679  1.008679  0.405963  1
  Cu  Cu10  1  0.508679  0.508679  0.308703  1
  Cu  Cu11  1  1.008679  1.008679  0.606673  1
  Cu  Cu12  1  0.508679  0.508679  0.506333  1
