# generated using pymatgen
data_Li12VNi3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48830300
_cell_length_b   8.36412900
_cell_length_c   10.01529899
_cell_angle_alpha   84.83114797
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12VNi3P4(CO7)4
_chemical_formula_sum   'Li12 V1 Ni3 P4 C4 O28'
_cell_volume   541.31008062
_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
  Li  Li0  1  0.00000000  0.90105000  0.61529200  1
  Li  Li1  1  0.00000000  0.90148500  0.11601300  1
  Li  Li2  1  0.22776100  0.72151600  0.87589100  1
  Li  Li3  1  0.77223900  0.72151600  0.87589100  1
  Li  Li4  1  0.22933800  0.72086400  0.37646400  1
  Li  Li5  1  0.77066200  0.72086400  0.37646400  1
  Li  Li6  1  0.72555200  0.27972100  0.62921800  1
  Li  Li7  1  0.27444800  0.27972100  0.62921800  1
  Li  Li8  1  0.72798200  0.27859500  0.12081700  1
  Li  Li9  1  0.27201800  0.27859500  0.12081700  1
  Li  Li10  1  0.50000000  0.09940500  0.88432600  1
  Li  Li11  1  0.50000000  0.10023500  0.38380800  1
  V  V12  1  0.00000000  0.32861900  0.39605000  1
  Ni  Ni13  1  0.50000000  0.66752700  0.60392200  1
  Ni  Ni14  1  0.50000000  0.66785200  0.10375400  1
  Ni  Ni15  1  0.00000000  0.33395700  0.89625400  1
  P  P16  1  0.00000000  0.58718600  0.63983200  1
  P  P17  1  0.00000000  0.58653500  0.13681700  1
  P  P18  1  0.50000000  0.41535100  0.86260500  1
  P  P19  1  0.50000000  0.41517100  0.36200800  1
  C  C20  1  0.50000000  0.96048800  0.64946700  1
  C  C21  1  0.50000000  0.96044400  0.14934200  1
  C  C22  1  0.00000000  0.04107100  0.85008200  1
  C  C23  1  0.00000000  0.03417200  0.34862800  1
  O  O24  1  0.50000000  0.92571900  0.52564400  1
  O  O25  1  0.00000000  0.89398700  0.81772500  1
  O  O26  1  0.50000000  0.92525700  0.02582600  1
  O  O27  1  0.50000000  0.84089400  0.74264100  1
  O  O28  1  0.00000000  0.88592000  0.32023900  1
  O  O29  1  0.50000000  0.84089600  0.24283200  1
  O  O30  1  0.18696700  0.69170200  0.58831500  1
  O  O31  1  0.81303300  0.69170200  0.58831500  1
  O  O32  1  0.18724500  0.69079800  0.08522500  1
  O  O33  1  0.81275500  0.69079800  0.08522500  1
  O  O34  1  0.50000000  0.58236400  0.91697900  1
  O  O35  1  0.00000000  0.56288600  0.79646100  1
  O  O36  1  0.50000000  0.58164700  0.41760200  1
  O  O37  1  0.00000000  0.56607000  0.29308300  1
  O  O38  1  0.50000000  0.43919000  0.70559300  1
  O  O39  1  0.00000000  0.41989400  0.58681300  1
  O  O40  1  0.50000000  0.44056500  0.20543000  1
  O  O41  1  0.00000000  0.41857800  0.08358900  1
  O  O42  1  0.31321700  0.31004900  0.91264300  1
  O  O43  1  0.68678300  0.31004900  0.91264300  1
  O  O44  1  0.68319200  0.30812700  0.41349200  1
  O  O45  1  0.31680800  0.30812700  0.41349200  1
  O  O46  1  0.00000000  0.16075000  0.75682300  1
  O  O47  1  0.50000000  0.10714500  0.68157300  1
  O  O48  1  0.00000000  0.15008200  0.25278000  1
  O  O49  1  0.00000000  0.07540500  0.97350800  1
  O  O50  1  0.50000000  0.10731800  0.18082300  1
  O  O51  1  0.00000000  0.07214100  0.47171000  1
