# generated using pymatgen
data_Cu12Mo3S5O36
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82741600
_cell_length_b   7.48574511
_cell_length_c   13.69445623
_cell_angle_alpha   89.97976691
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu12Mo3S5O36
_chemical_formula_sum   'Cu12 Mo3 S5 O36'
_cell_volume   699.90027785
_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  0.00028400  0.49979000  0.00028000  1.0
  Cu  Cu1  1  0.49609700  0.99861400  0.49354300  1.0
  Cu  Cu2  1  0.49971600  0.49979000  0.00028000  1.0
  Cu  Cu3  1  0.00390300  0.99861400  0.49354300  1.0
  Cu  Cu4  1  0.25000000  0.82320300  0.06160600  1.0
  Cu  Cu5  1  0.25000000  0.34293300  0.44418700  1.0
  Cu  Cu6  1  0.75000000  0.17307700  0.94678300  1.0
  Cu  Cu7  1  0.75000000  0.67502500  0.55219800  1.0
  Cu  Cu8  1  0.25000000  0.65625700  0.84187900  1.0
  Cu  Cu9  1  0.25000000  0.15370000  0.65885000  1.0
  Cu  Cu10  1  0.75000000  0.34553900  0.15998600  1.0
  Cu  Cu11  1  0.75000000  0.82159500  0.33896200  1.0
  Mo  Mo12  1  0.75000000  0.75099700  0.81342900  1.0
  Mo  Mo13  1  0.75000000  0.25154400  0.68640600  1.0
  Mo  Mo14  1  0.25000000  0.25205900  0.18824100  1.0
  S  S15  1  0.25000000  0.16799200  0.89897600  1.0
  S  S16  1  0.25000000  0.67016500  0.59782000  1.0
  S  S17  1  0.75000000  0.83356200  0.10045600  1.0
  S  S18  1  0.75000000  0.32938300  0.40018800  1.0
  S  S19  1  0.25000000  0.74088800  0.31655500  1.0
  O  O20  1  0.25000000  0.97197800  0.90666200  1.0
  O  O21  1  0.25000000  0.47285900  0.58464800  1.0
  O  O22  1  0.75000000  0.03041400  0.09108400  1.0
  O  O23  1  0.75000000  0.52626700  0.40991300  1.0
  O  O24  1  0.25000000  0.72175100  0.70199800  1.0
  O  O25  1  0.25000000  0.23219500  0.79615200  1.0
  O  O26  1  0.75000000  0.27042800  0.29705100  1.0
  O  O27  1  0.75000000  0.77190900  0.20285100  1.0
  O  O28  1  0.96974600  0.62692900  0.84854800  1.0
  O  O29  1  0.53045500  0.12681200  0.65291100  1.0
  O  O30  1  0.46944800  0.37416400  0.15117400  1.0
  O  O31  1  0.07238400  0.85036800  0.34526400  1.0
  O  O32  1  0.03055200  0.37416400  0.15117400  1.0
  O  O33  1  0.42761600  0.85036800  0.34526400  1.0
  O  O34  1  0.53025400  0.62692900  0.84854800  1.0
  O  O35  1  0.96954500  0.12681200  0.65291100  1.0
  O  O36  1  0.25000000  0.60568800  0.98522200  1.0
  O  O37  1  0.25000000  0.11134400  0.51686200  1.0
  O  O38  1  0.75000000  0.39617600  0.01879800  1.0
  O  O39  1  0.75000000  0.89310100  0.47278800  1.0
  O  O40  1  0.75000000  0.79893800  0.68761900  1.0
  O  O41  1  0.75000000  0.29984000  0.81237700  1.0
  O  O42  1  0.25000000  0.21434700  0.31558800  1.0
  O  O43  1  0.25000000  0.70250900  0.21136500  1.0
  O  O44  1  0.75000000  0.95953000  0.87512100  1.0
  O  O45  1  0.75000000  0.46045700  0.62434900  1.0
  O  O46  1  0.25000000  0.04237600  0.12764100  1.0
  O  O47  1  0.25000000  0.56966700  0.37081900  1.0
  O  O48  1  0.07325000  0.24253900  0.95021400  1.0
  O  O49  1  0.42799400  0.74722000  0.54948200  1.0
  O  O50  1  0.57207300  0.75897700  0.05019300  1.0
  O  O51  1  0.92700900  0.25473700  0.45067400  1.0
  O  O52  1  0.92792700  0.75897700  0.05019300  1.0
  O  O53  1  0.57299100  0.25473700  0.45067400  1.0
  O  O54  1  0.42675000  0.24253900  0.95021400  1.0
  O  O55  1  0.07200600  0.74722000  0.54948200  1.0