# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01180798
_cell_length_b   10.74517912
_cell_length_c   48.33513862
_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   'Zr21 Cu21'
_cell_volume   1564.24187273
_cell_formula_units_Z   21
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  0.521774  0.047899  0.300303  1
  Zr  Zr2  1  0.521774  0.746374  0.323162  1
  Zr  Zr3  1  0.521774  0.343772  0.281812  1
  Zr  Zr4  1  0.521774  0.146157  0.367398  1
  Zr  Zr5  1  0.521774  0.846946  0.389532  1
  Zr  Zr6  1  0.521774  0.448197  0.343899  1
  Zr  Zr7  1  0.521774  0.247053  0.434188  1
  Zr  Zr8  1  0.521774  0.946926  0.456350  1
  Zr  Zr9  1  0.521774  0.546953  0.411536  1
  Zr  Zr10  1  0.521774  0.346740  0.501081  1
  Zr  Zr11  1  0.521774  0.046790  0.523420  1
  Zr  Zr12  1  0.521774  0.646690  0.478742  1
  Zr  Zr13  1  0.521774  0.446427  0.567974  1
  Zr  Zr14  1  0.521774  0.146527  0.590625  1
  Zr  Zr15  1  0.521774  0.746554  0.545811  1
  Zr  Zr16  1  0.521774  0.547323  0.634764  1
  Zr  Zr17  1  0.521774  0.245283  0.658262  1
  Zr  Zr18  1  0.521774  0.846534  0.612630  1
  Zr  Zr19  1  0.521774  0.645581  0.701859  1
  Zr  Zr20  1  0.521774  0.349708  0.720349  1
  Zr  Zr21  1  0.521774  0.947107  0.678999  1
  Cu  Cu22  1  1.021774  0.243620  0.323930  1
  Cu  Cu23  1  1.021774  0.845449  0.281902  1
  Cu  Cu24  1  1.021774  0.552513  0.299178  1
  Cu  Cu25  1  1.021774  0.347177  0.389189  1
  Cu  Cu26  1  1.021774  0.946412  0.344169  1
  Cu  Cu27  1  1.021774  0.646352  0.367193  1
  Cu  Cu28  1  1.021774  0.447211  0.456272  1
  Cu  Cu29  1  1.021774  0.047499  0.411846  1
  Cu  Cu30  1  1.021774  0.746377  0.434152  1
  Cu  Cu31  1  1.021774  0.546826  0.523341  1
  Cu  Cu32  1  1.021774  0.146654  0.478821  1
  Cu  Cu33  1  1.021774  0.846740  0.501081  1
  Cu  Cu34  1  1.021774  0.645982  0.590316  1
  Cu  Cu35  1  1.021774  0.246269  0.545889  1
  Cu  Cu36  1  1.021774  0.947103  0.568010  1
  Cu  Cu37  1  1.021774  0.747069  0.657993  1
  Cu  Cu38  1  1.021774  0.346303  0.612972  1
  Cu  Cu39  1  1.021774  0.047128  0.634969  1
  Cu  Cu40  1  1.021774  0.848031  0.720260  1
  Cu  Cu41  1  1.021774  0.449860  0.678231  1
  Cu  Cu42  1  1.021774  0.140967  0.702984  1
