# generated using pymatgen
data_Cu2SiSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68559912
_cell_length_b   6.67097671
_cell_length_c   6.74437918
_cell_angle_alpha   60.35937658
_cell_angle_beta   80.98714985
_cell_angle_gamma   71.53295012
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiSe3
_chemical_formula_sum   'Cu4 Si2 Se6'
_cell_volume   247.97265552
_cell_formula_units_Z   2
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  0.50262342  0.23318964  0.50960673  1.0
  Cu  Cu1  1  0.00262342  0.74279636  0.49039327  1.0
  Cu  Cu2  1  0.50015775  0.58408142  0.82600655  1.0
  Cu  Cu3  1  0.00015775  0.41008898  0.17399345  1.0
  Si  Si4  1  0.52432198  0.88575359  0.16972488  1.0
  Si  Si5  1  0.02432198  0.05547947  0.83027512  1.0
  Se  Se6  1  0.12257408  0.69868974  0.83051447  1.0
  Se  Se7  1  0.62257408  0.52920420  0.16948553  1.0
  Se  Se8  1  0.62687497  0.86713526  0.48386814  1.0
  Se  Se9  1  0.12687497  0.35100340  0.51613186  1.0
  Se  Se10  1  0.14494781  0.03064701  0.15708293  1.0
  Se  Se11  1  0.64494781  0.18773093  0.84291707  1.0