# generated using pymatgen
data_Cu3NiH6(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08403307
_cell_length_b   9.28680414
_cell_length_c   6.97040247
_cell_angle_alpha   90.10730080
_cell_angle_beta   89.79765477
_cell_angle_gamma   101.96003544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3NiH6(ClO3)2
_chemical_formula_sum   'Cu6 Ni2 H12 Cl4 O12'
_cell_volume   385.28435703
_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  0.74966500  0.24977200  0.74991100  1.0
  Cu  Cu1  1  0.24930400  0.74956000  0.24985100  1.0
  Cu  Cu2  1  0.74958800  0.24976600  0.25017600  1.0
  Cu  Cu3  1  0.25028700  0.75030200  0.74948100  1.0
  Cu  Cu4  1  0.50129900  0.50250000  0.00043600  1.0
  Cu  Cu5  1  0.99896600  0.99737900  0.49940900  1.0
  Ni  Ni6  1  0.50022600  0.00010400  0.50028600  1.0
  Ni  Ni7  1  0.00062300  0.50050600  0.00011000  1.0
  H  H8  1  0.95340200  0.77601600  0.00030200  1.0
  H  H9  1  0.45320300  0.27675400  0.50018900  1.0
  H  H10  1  0.25434700  0.47760200  0.70063100  1.0
  H  H11  1  0.75299800  0.97746100  0.20010800  1.0
  H  H12  1  0.74669600  0.52258500  0.29985000  1.0
  H  H13  1  0.24557100  0.02230200  0.79973800  1.0
  H  H14  1  0.04611700  0.22345300  0.99987600  1.0
  H  H15  1  0.54622200  0.72377000  0.49954500  1.0
  H  H16  1  0.25348000  0.47729300  0.30077700  1.0
  H  H17  1  0.75365300  0.97760000  0.79950900  1.0
  H  H18  1  0.74604600  0.52226300  0.70062900  1.0
  H  H19  1  0.24643900  0.02223400  0.19952900  1.0
  Cl  Cl20  1  0.63908500  0.81961000  0.99984800  1.0
  Cl  Cl21  1  0.13945700  0.32023800  0.50025700  1.0
  Cl  Cl22  1  0.36053500  0.17954000  0.99982600  1.0
  Cl  Cl23  1  0.86117900  0.68067300  0.50010200  1.0
  O  O24  1  0.72375800  0.45525400  0.18724200  1.0
  O  O25  1  0.22356600  0.95501800  0.68705600  1.0
  O  O26  1  0.72364400  0.45503900  0.81315100  1.0
  O  O27  1  0.22779300  0.95618800  0.31315400  1.0
  O  O28  1  0.08804200  0.73088700  0.99993300  1.0
  O  O29  1  0.58626700  0.23008600  0.50012400  1.0
  O  O30  1  0.27321600  0.54363800  0.18748200  1.0
  O  O31  1  0.77640300  0.04459800  0.68671800  1.0
  O  O32  1  0.27657700  0.54542100  0.81273700  1.0
  O  O33  1  0.77682900  0.04465800  0.31283700  1.0
  O  O34  1  0.91371200  0.27083900  0.99990100  1.0
  O  O35  1  0.41180500  0.76908900  0.49928900  1.0