# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11604057
_cell_length_b   11.71946001
_cell_length_c   49.48736818
_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   'Zr24 Cu24'
_cell_volume   1807.19519134
_cell_formula_units_Z   24
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  1.018056  0.472154  0.307795  1
  Zr  Zr2  1  1.018056  0.241974  0.275157  1
  Zr  Zr3  1  1.018056  0.856965  0.289131  1
  Zr  Zr4  1  1.018056  0.311588  0.365113  1
  Zr  Zr5  1  1.018056  0.082718  0.324450  1
  Zr  Zr6  1  1.018056  0.696042  0.344213  1
  Zr  Zr7  1  1.018056  0.145709  0.417349  1
  Zr  Zr8  1  1.018056  0.920740  0.380714  1
  Zr  Zr9  1  1.018056  0.535258  0.400810  1
  Zr  Zr10  1  1.018056  0.982795  0.473796  1
  Zr  Zr11  1  1.018056  0.759233  0.437451  1
  Zr  Zr12  1  0.018056  0.372799  0.457789  1
  Zr  Zr13  1  1.018056  0.821196  0.530838  1
  Zr  Zr14  1  1.018056  0.597628  0.493819  1
  Zr  Zr15  1  1.018056  0.208462  0.510337  1
  Zr  Zr16  1  1.018056  0.662386  0.586614  1
  Zr  Zr17  1  1.018056  0.434223  0.550783  1
  Zr  Zr18  1  1.018056  0.044373  0.566344  1
  Zr  Zr19  1  1.018056  0.501340  0.643727  1
  Zr  Zr20  1  1.018056  0.273949  0.603466  1
  Zr  Zr21  1  1.018056  0.886765  0.625309  1
  Zr  Zr22  1  1.018056  0.347020  0.695189  1
  Zr  Zr23  1  1.018056  0.114546  0.657306  1
  Zr  Zr24  1  1.018056  0.735450  0.677709  1
  Cu  Cu25  1  0.518056  0.281259  0.320259  1
  Cu  Cu26  1  0.518056  0.047108  0.278209  1
  Cu  Cu27  1  0.518056  0.667615  0.298668  1
  Cu  Cu28  1  0.518056  0.113893  0.370221  1
  Cu  Cu29  1  0.518056  0.889342  0.333907  1
  Cu  Cu30  1  0.518056  0.503965  0.353727  1
  Cu  Cu31  1  0.518056  0.952092  0.427259  1
  Cu  Cu32  1  0.518056  0.728074  0.390952  1
  Cu  Cu33  1  0.518056  0.343523  0.412238  1
  Cu  Cu34  1  0.518056  0.790756  0.484173  1
  Cu  Cu35  1  0.518056  0.565640  0.447263  1
  Cu  Cu36  1  0.518056  0.174996  0.463160  1
  Cu  Cu37  1  0.518056  0.626049  0.540111  1
  Cu  Cu38  1  0.518056  0.406359  0.504960  1
  Cu  Cu39  1  0.518056  0.013966  0.519991  1
  Cu  Cu40  1  0.518056  0.471473  0.597930  1
  Cu  Cu41  1  0.518056  0.236126  0.556457  1
  Cu  Cu42  1  0.518056  0.855919  0.578399  1
  Cu  Cu43  1  0.518056  0.305143  0.650615  1
  Cu  Cu44  1  0.518056  0.075806  0.611423  1
  Cu  Cu45  1  0.518056  0.689255  0.632934  1
  Cu  Cu46  1  0.518056  0.154403  0.699597  1
  Cu  Cu47  1  0.518056  0.934627  0.673601  1
  Cu  Cu48  1  0.518056  0.544606  0.689063  1
