# generated using pymatgen
data_Cu2HgGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96928253
_cell_length_b   6.96928253
_cell_length_c   6.96928253
_cell_angle_alpha   130.26785139
_cell_angle_beta   130.26785139
_cell_angle_gamma   72.97892202
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgGeSe4
_chemical_formula_sum   'Cu2 Hg1 Ge1 Se4'
_cell_volume   192.48250809
_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  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu1  1  0.25000000  0.75000000  0.50000000  1.0
  Hg  Hg2  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge3  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se4  1  0.40777400  0.40777400  0.54057200  1.0
  Se  Se5  1  0.13279800  0.59222600  0.00000000  1.0
  Se  Se6  1  0.59222600  0.13279800  0.00000000  1.0
  Se  Se7  1  0.86720200  0.86720200  0.45942800  1.0