# generated using pymatgen
data_Cu27Se20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02215130
_cell_length_b   4.02215163
_cell_length_c   79.83886727
_cell_angle_alpha   59.74936109
_cell_angle_beta   59.74935841
_cell_angle_gamma   59.99999889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu27Se20
_chemical_formula_sum   'Cu27 Se20'
_cell_volume   909.83048485
_cell_formula_units_Z   1
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  Cu0  1  0.24603300  0.24603300  0.06309500  1.0
  Cu  Cu1  1  0.75459900  0.75459900  0.03681000  1.0
  Cu  Cu2  1  0.24456900  0.24456900  0.16331500  1.0
  Cu  Cu3  1  0.74455700  0.74455700  0.08831600  1.0
  Cu  Cu4  1  0.75515100  0.75515100  0.13672700  1.0
  Cu  Cu5  1  0.74424600  0.74424600  0.18836300  1.0
  Cu  Cu6  1  0.74186600  0.74186600  0.23872000  1.0
  Cu  Cu7  1  0.74988000  0.74988000  0.28751800  1.0
  Cu  Cu8  1  0.74957200  0.74957200  0.33756400  1.0
  Cu  Cu9  1  0.74943000  0.74943000  0.38758500  1.0
  Cu  Cu10  1  0.74953300  0.74953300  0.43757000  1.0
  Cu  Cu11  1  0.74958900  0.74958900  0.48756200  1.0
  Cu  Cu12  1  0.74931600  0.74931600  0.53760300  1.0
  Cu  Cu13  1  0.24603600  0.24603600  0.66309500  1.0
  Cu  Cu14  1  0.74977700  0.74977700  0.58753300  1.0
  Cu  Cu15  1  0.76308800  0.76308800  0.63553700  1.0
  Cu  Cu16  1  0.74413400  0.74413400  0.68838000  1.0
  Cu  Cu17  1  0.24553500  0.24553500  0.76317000  1.0
  Cu  Cu18  1  0.75465200  0.75465200  0.73680200  1.0
  Cu  Cu19  1  0.74381400  0.74381400  0.78842800  1.0
  Cu  Cu20  1  0.25394100  0.25394100  0.86190900  1.0
  Cu  Cu21  1  0.75432000  0.75432000  0.83685200  1.0
  Cu  Cu22  1  0.24998500  0.24998500  0.91250200  1.0
  Cu  Cu23  1  0.24368500  0.24368500  0.96344700  1.0
  Cu  Cu24  1  0.75811300  0.75811300  0.88628300  1.0
  Cu  Cu25  1  0.74935700  0.74935700  0.93759700  1.0
  Cu  Cu26  1  0.73521300  0.73521300  0.98971800  1.0
  Se  Se27  1  0.99767400  0.99767400  0.00034900  1.0
  Se  Se28  1  0.00797900  0.00797900  0.04880300  1.0
  Se  Se29  1  0.99742600  0.99742600  0.10038600  1.0
  Se  Se30  1  0.00741000  0.00741000  0.14888800  1.0
  Se  Se31  1  0.99429700  0.99429700  0.20085500  1.0
  Se  Se32  1  0.00083000  0.00083000  0.24987500  1.0
  Se  Se33  1  0.99990100  0.99990100  0.30001500  1.0
  Se  Se34  1  0.00031600  0.00031600  0.34995300  1.0
  Se  Se35  1  0.00050600  0.00050600  0.39992400  1.0
  Se  Se36  1  0.00017600  0.00017600  0.44997400  1.0
  Se  Se37  1  0.00045000  0.00045000  0.49993200  1.0
  Se  Se38  1  0.00090300  0.00090300  0.54986500  1.0
  Se  Se39  1  0.00514700  0.00514700  0.59922800  1.0
  Se  Se40  1  0.00658700  0.00658700  0.64901200  1.0
  Se  Se41  1  0.99741000  0.99741000  0.70038800  1.0
  Se  Se42  1  0.00777500  0.00777500  0.74883400  1.0
  Se  Se43  1  0.99702700  0.99702700  0.80044600  1.0
  Se  Se44  1  0.00906800  0.00906800  0.84864000  1.0
  Se  Se45  1  0.00020000  0.00020000  0.89997000  1.0
  Se  Se46  1  0.99892500  0.99892500  0.95016100  1.0