# generated using pymatgen
data_Cu7S2O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49563400
_cell_length_b   7.93938790
_cell_length_c   7.93938776
_cell_angle_alpha   119.99999857
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu7S2O21
_chemical_formula_sum   'Cu7 S2 O21'
_cell_volume   409.17872499
_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  0.98788800  0.86858500  0.29350500  1.0
  Cu  Cu1  1  0.01211200  0.13141500  0.70649500  1.0
  Cu  Cu2  1  0.98788800  0.42491900  0.13141500  1.0
  Cu  Cu3  1  0.01211200  0.57508100  0.86858500  1.0
  Cu  Cu4  1  0.98788800  0.70649500  0.57508100  1.0
  Cu  Cu5  1  0.01211200  0.29350500  0.42491900  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.00000000  1.0
  S  S7  1  0.58128600  0.66666700  0.33333300  1.0
  S  S8  1  0.41871400  0.33333300  0.66666700  1.0
  O  O9  1  0.52037600  0.82103500  0.29626600  1.0
  O  O10  1  0.47962400  0.17896500  0.70373400  1.0
  O  O11  1  0.52037600  0.47523100  0.17896500  1.0
  O  O12  1  0.47962400  0.52476900  0.82103500  1.0
  O  O13  1  0.52037600  0.70373400  0.52476900  1.0
  O  O14  1  0.47962400  0.29626600  0.47523100  1.0
  O  O15  1  0.90374300  0.51346700  0.63127300  1.0
  O  O16  1  0.09625700  0.48653300  0.36872700  1.0
  O  O17  1  0.90374300  0.11780700  0.48653300  1.0
  O  O18  1  0.09625700  0.88219300  0.51346700  1.0
  O  O19  1  0.90374300  0.36872700  0.88219300  1.0
  O  O20  1  0.09625700  0.63127300  0.11780700  1.0
  O  O21  1  0.78653300  0.66666700  0.33333300  1.0
  O  O22  1  0.21346700  0.33333300  0.66666700  1.0
  O  O23  1  0.50000000  0.00000000  0.00000000  1.0
  O  O24  1  0.86758100  0.85495800  0.08452900  1.0
  O  O25  1  0.13241900  0.14504200  0.91547100  1.0
  O  O26  1  0.86758100  0.22957100  0.14504200  1.0
  O  O27  1  0.13241900  0.77042900  0.85495800  1.0
  O  O28  1  0.86758100  0.91547100  0.77042900  1.0
  O  O29  1  0.13241900  0.08452900  0.22957100  1.0