# generated using pymatgen
data_Cu2GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88145459
_cell_length_b   11.76673814
_cell_length_c   6.78647418
_cell_angle_alpha   30.13371430
_cell_angle_beta   54.87510005
_cell_angle_gamma   60.16178652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeSe3
_chemical_formula_sum   'Cu4 Ge2 Se6'
_cell_volume   258.42083378
_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  0.99247455  0.99744391  0.99657733  1.0
  Cu  Cu1  1  0.99446127  0.66938716  0.99885874  1.0
  Cu  Cu2  1  0.49259418  0.33524517  0.99118572  1.0
  Cu  Cu3  1  0.49388994  0.66502878  0.00657923  1.0
  Ge  Ge4  1  0.01146826  0.33964773  0.98685229  1.0
  Ge  Ge5  1  0.51152131  0.99303471  0.00667426  1.0
  Se  Se6  1  0.12075742  0.33546255  0.25428878  1.0
  Se  Se7  1  0.12425441  0.66522575  0.24831012  1.0
  Se  Se8  1  0.62339850  0.33738351  0.23632685  1.0
  Se  Se9  1  0.12341580  0.99576090  0.24803145  1.0
  Se  Se10  1  0.62447228  0.66721390  0.24556385  1.0
  Se  Se11  1  0.62059408  0.99767493  0.26112439  1.0