# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31201531
_cell_length_b   6.28001761
_cell_length_c   46.34425126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1799.94979703
_cell_formula_units_Z   72
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
  Cu  Cu1  1  0.772007  0.775061  0.285724  1
  Cu  Cu2  1  0.272007  0.275061  0.285724  1
  Cu  Cu3  1  0.146883  0.649940  0.305047  1
  Cu  Cu4  1  0.646883  0.149940  0.305047  1
  Cu  Cu5  1  0.522007  0.525061  0.285724  1
  Cu  Cu6  1  0.022007  0.025061  0.285724  1
  Cu  Cu7  1  0.896883  0.399940  0.305047  1
  Cu  Cu8  1  0.396883  0.899940  0.305047  1
  Cu  Cu9  1  0.647398  0.650467  0.335889  1
  Cu  Cu10  1  0.147398  0.150467  0.335889  1
  Cu  Cu11  1  0.021938  0.525019  0.354582  1
  Cu  Cu12  1  0.521938  0.025019  0.354582  1
  Cu  Cu13  1  0.397398  0.400467  0.335889  1
  Cu  Cu14  1  0.897398  0.900467  0.335889  1
  Cu  Cu15  1  0.771938  0.275019  0.354582  1
  Cu  Cu16  1  0.271938  0.775019  0.354582  1
  Cu  Cu17  1  0.523645  0.526765  0.385438  1
  Cu  Cu18  1  0.023645  0.026765  0.385438  1
  Cu  Cu19  1  0.897007  0.400174  0.404768  1
  Cu  Cu20  1  0.397007  0.900174  0.404768  1
  Cu  Cu21  1  0.273645  0.276765  0.385438  1
  Cu  Cu22  1  0.773645  0.776765  0.385438  1
  Cu  Cu23  1  0.647007  0.150174  0.404768  1
  Cu  Cu24  1  0.147007  0.650174  0.404768  1
  Cu  Cu25  1  0.402667  0.405958  0.434422  1
  Cu  Cu26  1  0.902667  0.905958  0.434422  1
  Cu  Cu27  1  0.771723  0.275195  0.456717  1
  Cu  Cu28  1  0.271723  0.775195  0.456717  1
  Cu  Cu29  1  0.152667  0.155958  0.434422  1
  Cu  Cu30  1  0.652667  0.655958  0.434422  1
  Cu  Cu31  1  0.521723  0.025195  0.456717  1
  Cu  Cu32  1  0.021723  0.525195  0.456717  1
  Cu  Cu33  1  0.131239  0.135102  0.486130  1
  Cu  Cu34  1  0.631239  0.635102  0.486130  1
  Cu  Cu35  1  0.506239  0.010102  0.510338  1
  Cu  Cu36  1  0.006239  0.510102  0.510338  1
  Cu  Cu37  1  0.881239  0.885102  0.486130  1
  Cu  Cu38  1  0.381239  0.385102  0.486130  1
  Cu  Cu39  1  0.256239  0.760102  0.510338  1
  Cu  Cu40  1  0.756239  0.260102  0.510338  1
  Cu  Cu41  1  0.896723  0.900195  0.539751  1
  Cu  Cu42  1  0.396723  0.400195  0.539751  1
  Cu  Cu43  1  0.277667  0.780958  0.562046  1
  Cu  Cu44  1  0.777667  0.280958  0.562046  1
  Cu  Cu45  1  0.646723  0.650195  0.539751  1
  Cu  Cu46  1  0.146723  0.150195  0.539751  1
  Cu  Cu47  1  0.027667  0.530958  0.562046  1
  Cu  Cu48  1  0.527667  0.030958  0.562046  1
  Cu  Cu49  1  0.772007  0.775174  0.591700  1
  Cu  Cu50  1  0.272007  0.275174  0.591700  1
  Cu  Cu51  1  0.148645  0.651765  0.611030  1
  Cu  Cu52  1  0.648645  0.151765  0.611030  1
  Cu  Cu53  1  0.522007  0.525174  0.591700  1
  Cu  Cu54  1  0.022007  0.025174  0.591700  1
  Cu  Cu55  1  0.898645  0.401765  0.611030  1
  Cu  Cu56  1  0.398645  0.901765  0.611030  1
  Cu  Cu57  1  0.646938  0.650019  0.641886  1
  Cu  Cu58  1  0.146938  0.150019  0.641886  1
  Cu  Cu59  1  0.022398  0.525467  0.660579  1
  Cu  Cu60  1  0.522398  0.025467  0.660579  1
  Cu  Cu61  1  0.396938  0.400019  0.641886  1
  Cu  Cu62  1  0.896938  0.900019  0.641886  1
  Cu  Cu63  1  0.772398  0.275467  0.660579  1
  Cu  Cu64  1  0.272398  0.775467  0.660579  1
  Cu  Cu65  1  0.521883  0.524940  0.691421  1
  Cu  Cu66  1  0.021883  0.024940  0.691421  1
  Cu  Cu67  1  0.897007  0.400061  0.710744  1
  Cu  Cu68  1  0.397007  0.900061  0.710744  1
  Cu  Cu69  1  0.271883  0.274940  0.691421  1
  Cu  Cu70  1  0.771883  0.774940  0.691421  1
  Cu  Cu71  1  0.647007  0.150061  0.710744  1
  Cu  Cu72  1  0.147007  0.650061  0.710744  1
