# generated using pymatgen
data_Cu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51369370
_cell_length_b   6.51369370
_cell_length_c   6.51369370
_cell_angle_alpha   128.78851414
_cell_angle_beta   128.78851414
_cell_angle_gamma   75.35110221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeSe4
_chemical_formula_sum   'Cu2 Ge1 Se4'
_cell_volume   163.42027037
_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  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu1  1  0.75000000  0.25000000  0.50000000  1.0
  Ge  Ge2  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se3  1  0.36556700  0.36556700  0.48479300  1.0
  Se  Se4  1  0.63443300  0.11922600  0.00000000  1.0
  Se  Se5  1  0.11922600  0.63443300  0.00000000  1.0
  Se  Se6  1  0.88077400  0.88077400  0.51520700  1.0