# generated using pymatgen
data_Cu2GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.16710817
_cell_length_b   12.56209485
_cell_length_c   6.87107530
_cell_angle_alpha   79.43727319
_cell_angle_beta   69.69928128
_cell_angle_gamma   30.86344552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeSe3
_chemical_formula_sum   'Cu8 Ge4 Se12'
_cell_volume   531.10112950
_cell_formula_units_Z   4
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  0.58022000  0.25371000  0.25817700  1.0
  Cu  Cu1  1  0.91131100  0.58868900  0.91131100  1.0
  Cu  Cu2  1  0.25817700  0.90789400  0.58022000  1.0
  Cu  Cu3  1  0.99629000  0.66978000  0.34210600  1.0
  Cu  Cu4  1  0.34210600  0.99182300  0.99629000  1.0
  Cu  Cu5  1  0.66131100  0.33868900  0.66131100  1.0
  Cu  Cu6  1  0.41707900  0.08292100  0.41707900  1.0
  Cu  Cu7  1  0.16707900  0.83292100  0.16707900  1.0
  Ge  Ge8  1  0.73686800  0.42614500  0.09674600  1.0
  Ge  Ge9  1  0.09674600  0.74024100  0.73686800  1.0
  Ge  Ge10  1  0.50975900  0.15325400  0.82385500  1.0
  Ge  Ge11  1  0.82385500  0.51313200  0.50975900  1.0
  Se  Se12  1  0.96768400  0.36977700  0.11916200  1.0
  Se  Se13  1  0.29054200  0.70970300  0.79644400  1.0
  Se  Se14  1  0.62497400  0.04156300  0.45080300  1.0
  Se  Se15  1  0.45080300  0.88265900  0.62497400  1.0
  Se  Se16  1  0.79644400  0.20331200  0.29054200  1.0
  Se  Se17  1  0.11916200  0.54337700  0.96768400  1.0
  Se  Se18  1  0.54029700  0.95945800  0.04668800  1.0
  Se  Se19  1  0.88022300  0.28231600  0.70662300  1.0
  Se  Se20  1  0.20843700  0.62502600  0.36734100  1.0
  Se  Se21  1  0.70662300  0.13083800  0.88022300  1.0
  Se  Se22  1  0.04668800  0.45355600  0.54029700  1.0
  Se  Se23  1  0.36734100  0.79919700  0.20843700  1.0