# generated using pymatgen
data_Cu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23886893
_cell_length_b   6.23886893
_cell_length_c   6.23886893
_cell_angle_alpha   129.64074126
_cell_angle_beta   129.64074126
_cell_angle_gamma   73.98175549
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeS4
_chemical_formula_sum   'Cu2 Ge1 S4'
_cell_volume   140.43999185
_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
  S  S3  1  0.87617700  0.87617700  0.50763800  1.0
  S  S4  1  0.12382300  0.63146100  0.00000000  1.0
  S  S5  1  0.36853900  0.36853900  0.49236200  1.0
  S  S6  1  0.63146100  0.12382300  0.00000000  1.0