# generated using pymatgen
data_Li12V3CrP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58877500
_cell_length_b   8.54037400
_cell_length_c   10.00941861
_cell_angle_alpha   85.01593541
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12V3CrP4(CO7)4
_chemical_formula_sum   'Li12 V3 Cr1 P4 C4 O28'
_cell_volume   561.10636632
_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  0.89835900  0.61884700  1
  Li  Li1  1  0.00000000  0.90436600  0.11584400  1
  Li  Li2  1  0.22347300  0.72101600  0.87539000  1
  Li  Li3  1  0.77652700  0.72101600  0.87539000  1
  Li  Li4  1  0.22166600  0.72283300  0.37534100  1
  Li  Li5  1  0.77833400  0.72283300  0.37534100  1
  Li  Li6  1  0.72715000  0.27800700  0.62559500  1
  Li  Li7  1  0.27285000  0.27800700  0.62559500  1
  Li  Li8  1  0.72429100  0.27827700  0.12399100  1
  Li  Li9  1  0.27570900  0.27827700  0.12399100  1
  Li  Li10  1  0.50000000  0.09659000  0.88384400  1
  Li  Li11  1  0.50000000  0.09381400  0.38323600  1
  V  V12  1  0.50000000  0.67075300  0.60448900  1
  V  V13  1  0.50000000  0.67163000  0.10318900  1
  V  V14  1  0.00000000  0.32973600  0.89693700  1
  Cr  Cr15  1  0.00000000  0.33403700  0.39238600  1
  P  P16  1  0.00000000  0.58740000  0.64068100  1
  P  P17  1  0.00000000  0.59182300  0.13824300  1
  P  P18  1  0.50000000  0.41119500  0.86005400  1
  P  P19  1  0.50000000  0.41300300  0.35907600  1
  C  C20  1  0.50000000  0.96456700  0.65144200  1
  C  C21  1  0.50000000  0.96480400  0.15141400  1
  C  C22  1  0.00000000  0.03640900  0.84893000  1
  C  C23  1  0.00000000  0.03064400  0.35203000  1
  O  O24  1  0.50000000  0.92491500  0.52875600  1
  O  O25  1  0.00000000  0.89069300  0.82141400  1
  O  O26  1  0.50000000  0.92596100  0.02838500  1
  O  O27  1  0.50000000  0.85154600  0.74821900  1
  O  O28  1  0.00000000  0.88725100  0.31698900  1
  O  O29  1  0.50000000  0.85154100  0.24773900  1
  O  O30  1  0.18269700  0.69019700  0.58781700  1
  O  O31  1  0.81730300  0.69019700  0.58781700  1
  O  O32  1  0.18314600  0.69265900  0.08302100  1
  O  O33  1  0.81685400  0.69265900  0.08302100  1
  O  O34  1  0.50000000  0.57733600  0.91069200  1
  O  O35  1  0.00000000  0.56893000  0.79759600  1
  O  O36  1  0.50000000  0.57816100  0.41089700  1
  O  O37  1  0.00000000  0.57841300  0.29420600  1
  O  O38  1  0.50000000  0.43112500  0.70330000  1
  O  O39  1  0.00000000  0.42149300  0.58985300  1
  O  O40  1  0.50000000  0.43202900  0.20260300  1
  O  O41  1  0.00000000  0.42335000  0.09129100  1
  O  O42  1  0.31736400  0.30842400  0.91298100  1
  O  O43  1  0.68263600  0.30842400  0.91298100  1
  O  O44  1  0.68538400  0.31119700  0.41123400  1
  O  O45  1  0.31461600  0.31119700  0.41123400  1
  O  O46  1  0.00000000  0.14959300  0.75291900  1
  O  O47  1  0.50000000  0.11001600  0.67848800  1
  O  O48  1  0.00000000  0.14782300  0.25841900  1
  O  O49  1  0.00000000  0.07511600  0.97199600  1
  O  O50  1  0.50000000  0.11011300  0.17896400  1
  O  O51  1  0.00000000  0.06025100  0.47589400  1
