# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51894409
_cell_length_b   8.77886670
_cell_length_c   47.38536126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.29854811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1036.88335172
_cell_formula_units_Z   40
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  0.982141  0.077822  0.296310  1
  Cu  Cu2  1  0.120432  0.353520  0.279617  1
  Cu  Cu3  1  0.747806  0.606800  0.276045  1
  Cu  Cu4  1  0.846214  0.804594  0.313468  1
  Cu  Cu5  1  0.451223  0.015419  0.341912  1
  Cu  Cu6  1  0.588192  0.289332  0.324286  1
  Cu  Cu7  1  0.216224  0.544387  0.320506  1
  Cu  Cu8  1  0.314378  0.741114  0.359660  1
  Cu  Cu9  1  0.919425  0.951722  0.387495  1
  Cu  Cu10  1  0.056927  0.226834  0.369490  1
  Cu  Cu11  1  0.685372  0.483066  0.365474  1
  Cu  Cu12  1  0.782273  0.677019  0.405683  1
  Cu  Cu13  1  0.387861  0.888595  0.433164  1
  Cu  Cu14  1  0.525331  0.163725  0.414976  1
  Cu  Cu15  1  0.153622  0.419823  0.410785  1
  Cu  Cu16  1  0.250414  0.613343  0.451437  1
  Cu  Cu17  1  0.856213  0.825312  0.478773  1
  Cu  Cu18  1  0.993737  0.100616  0.460540  1
  Cu  Cu19  1  0.621961  0.356655  0.456215  1
  Cu  Cu20  1  0.718650  0.549898  0.497054  1
  Cu  Cu21  1  0.324539  0.762014  0.524361  1
  Cu  Cu22  1  0.462036  0.037283  0.506143  1
  Cu  Cu23  1  0.090257  0.293364  0.501718  1
  Cu  Cu24  1  0.186935  0.486538  0.542576  1
  Cu  Cu25  1  0.792845  0.698666  0.569942  1
  Cu  Cu26  1  0.930261  0.973806  0.551808  1
  Cu  Cu27  1  0.558473  0.229899  0.547276  1
  Cu  Cu28  1  0.655242  0.423224  0.588001  1
  Cu  Cu29  1  0.261120  0.635239  0.615530  1
  Cu  Cu30  1  0.398335  0.910046  0.597562  1
  Cu  Cu31  1  0.026549  0.166154  0.592912  1
  Cu  Cu32  1  0.123552  0.359943  0.633271  1
  Cu  Cu33  1  0.729517  0.571989  0.661004  1
  Cu  Cu34  1  0.866036  0.845582  0.643393  1
  Cu  Cu35  1  0.494136  0.101408  0.638645  1
  Cu  Cu36  1  0.592104  0.297202  0.677904  1
  Cu  Cu37  1  0.196544  0.505544  0.706190  1
  Cu  Cu38  1  0.333913  0.781595  0.689290  1
  Cu  Cu39  1  0.962191  0.037650  0.684407  1
  Cu  Cu40  1  0.059196  0.231911  0.721911  1
