# generated using pymatgen
data_Cu(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47256500
_cell_length_b   6.48808177
_cell_length_c   12.99815900
_cell_angle_alpha   94.03849022
_cell_angle_beta   94.66392467
_cell_angle_gamma   93.65097677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(Mo3S4)2
_chemical_formula_sum   'Cu2 Mo12 S16'
_cell_volume   541.36931437
_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  0.10342300  0.93492400  0.98157100  1.0
  Cu  Cu1  1  0.96127100  0.10308200  0.46774500  1.0
  Mo  Mo2  1  0.59272100  0.78795700  0.22631600  1.0
  Mo  Mo3  1  0.59710700  0.78570000  0.72875100  1.0
  Mo  Mo4  1  0.45630700  0.59494300  0.39423900  1.0
  Mo  Mo5  1  0.21780200  0.54149700  0.20260600  1.0
  Mo  Mo6  1  0.45668100  0.59654600  0.89346300  1.0
  Mo  Mo7  1  0.21364200  0.54818300  0.70277100  1.0
  Mo  Mo8  1  0.78249900  0.45735000  0.29713400  1.0
  Mo  Mo9  1  0.54637800  0.40461200  0.10673000  1.0
  Mo  Mo10  1  0.78612000  0.45349700  0.79775300  1.0
  Mo  Mo11  1  0.54279100  0.40493200  0.60734400  1.0
  Mo  Mo12  1  0.40837200  0.21114400  0.27246400  1.0
  Mo  Mo13  1  0.40334800  0.21641200  0.77237000  1.0
  S  S14  1  0.27522500  0.86150600  0.31035300  1.0
  S  S15  1  0.27124500  0.86960300  0.81151500  1.0
  S  S16  1  0.37189500  0.72600000  0.06672900  1.0
  S  S17  1  0.79222300  0.80026500  0.39474700  1.0
  S  S18  1  0.37913600  0.72646700  0.56855800  1.0
  S  S19  1  0.79998300  0.78988200  0.89783000  1.0
  S  S20  1  0.86445600  0.62290500  0.13833500  1.0
  S  S21  1  0.86288900  0.62052600  0.63850700  1.0
  S  S22  1  0.13696700  0.37226500  0.36361100  1.0
  S  S23  1  0.13680600  0.38151900  0.86211800  1.0
  S  S24  1  0.21282300  0.20010400  0.10212900  1.0
  S  S25  1  0.62407700  0.27109800  0.43469500  1.0
  S  S26  1  0.20208300  0.21340800  0.60100500  1.0
  S  S27  1  0.62187400  0.27595100  0.93211400  1.0
  S  S28  1  0.72616000  0.13664900  0.18949300  1.0
  S  S29  1  0.72279700  0.13347300  0.69035600  1.0