# generated using pymatgen
data_Cu3H2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03063500
_cell_length_b   5.07003700
_cell_length_c   10.50006845
_cell_angle_alpha   87.25689774
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3H2(CO4)2
_chemical_formula_sum   'Cu6 H4 C4 O16'
_cell_volume   320.67742191
_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  0.49951800  0.25090900  0.91621400  1.0
  Cu  Cu1  1  0.99951800  0.74909100  0.58378600  1.0
  Cu  Cu2  1  0.50048200  0.74909100  0.08378600  1.0
  Cu  Cu3  1  0.00048200  0.25090900  0.41621400  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1.0
  H  H6  1  0.29947400  0.82070900  0.87511400  1.0
  H  H7  1  0.79947400  0.17929100  0.62488600  1.0
  H  H8  1  0.70052600  0.17929100  0.12488600  1.0
  H  H9  1  0.20052600  0.82070900  0.37511400  1.0
  C  C10  1  0.80615900  0.66661500  0.81909800  1.0
  C  C11  1  0.30615900  0.33338500  0.68090200  1.0
  C  C12  1  0.69384100  0.66661500  0.31909800  1.0
  C  C13  1  0.19384100  0.33338500  0.18090200  1.0
  O  O14  1  0.30264100  0.43136700  0.79194200  1.0
  O  O15  1  0.80264100  0.56863300  0.70805800  1.0
  O  O16  1  0.19146000  0.93123400  0.44979200  1.0
  O  O17  1  0.69146000  0.06876600  0.05020800  1.0
  O  O18  1  0.80854000  0.06876600  0.55020800  1.0
  O  O19  1  0.30854000  0.93123400  0.94979200  1.0
  O  O20  1  0.58649600  0.88573000  0.33350500  1.0
  O  O21  1  0.08649600  0.11427000  0.16649500  1.0
  O  O22  1  0.41350400  0.11427000  0.66649500  1.0
  O  O23  1  0.91350400  0.88573000  0.83350500  1.0
  O  O24  1  0.79440100  0.55119400  0.41547400  1.0
  O  O25  1  0.29440100  0.44880600  0.08452600  1.0
  O  O26  1  0.20559900  0.44880600  0.58452600  1.0
  O  O27  1  0.70559900  0.55119400  0.91547400  1.0
  O  O28  1  0.69735900  0.56863300  0.20805800  1.0
  O  O29  1  0.19735900  0.43136700  0.29194200  1.0