# generated using pymatgen
data_Li12Cr3CoP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46532000
_cell_length_b   8.63028700
_cell_length_c   10.00250098
_cell_angle_alpha   85.48581438
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Cr3CoP4(CO7)4
_chemical_formula_sum   'Li12 Cr3 Co1 P4 C4 O28'
_cell_volume   556.38387847
_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  0.90288000  0.61509200  1
  Li  Li1  1  0.00000000  0.89627300  0.11794200  1
  Li  Li2  1  0.22583400  0.72657400  0.87305900  1
  Li  Li3  1  0.77416600  0.72657400  0.87305900  1
  Li  Li4  1  0.22644900  0.72572200  0.37321000  1
  Li  Li5  1  0.77355100  0.72572200  0.37321000  1
  Li  Li6  1  0.72486500  0.27323300  0.62532700  1
  Li  Li7  1  0.27513500  0.27323300  0.62532700  1
  Li  Li8  1  0.72603500  0.27306300  0.12767800  1
  Li  Li9  1  0.27396500  0.27306300  0.12767800  1
  Li  Li10  1  0.50000000  0.10168300  0.88335800  1
  Li  Li11  1  0.50000000  0.10232200  0.38266700  1
  Cr  Cr12  1  0.50000000  0.66592600  0.60472000  1
  Cr  Cr13  1  0.50000000  0.66446900  0.10734100  1
  Cr  Cr14  1  0.00000000  0.33335800  0.89366000  1
  Co  Co15  1  0.00000000  0.33186700  0.39708700  1
  P  P16  1  0.00000000  0.58899000  0.63803400  1
  P  P17  1  0.00000000  0.58451600  0.14192200  1
  P  P18  1  0.50000000  0.41109000  0.85982900  1
  P  P19  1  0.50000000  0.41026300  0.36083700  1
  C  C20  1  0.50000000  0.96823600  0.64759200  1
  C  C21  1  0.50000000  0.96787800  0.14750700  1
  C  C22  1  0.00000000  0.03052700  0.85281300  1
  C  C23  1  0.00000000  0.03954700  0.35097200  1
  O  O24  1  0.50000000  0.94123100  0.52294800  1
  O  O25  1  0.00000000  0.88938300  0.81498700  1
  O  O26  1  0.50000000  0.93940200  0.02323500  1
  O  O27  1  0.50000000  0.85044200  0.73883300  1
  O  O28  1  0.00000000  0.89640000  0.31807500  1
  O  O29  1  0.50000000  0.85107100  0.23974900  1
  O  O30  1  0.18669100  0.68891300  0.58210300  1
  O  O31  1  0.81330900  0.68891300  0.58210300  1
  O  O32  1  0.18624300  0.68679300  0.08873100  1
  O  O33  1  0.81375700  0.68679300  0.08873100  1
  O  O34  1  0.50000000  0.57790800  0.90690700  1
  O  O35  1  0.00000000  0.57966000  0.79364500  1
  O  O36  1  0.50000000  0.57776300  0.40670100  1
  O  O37  1  0.00000000  0.56774500  0.29837800  1
  O  O38  1  0.50000000  0.42013100  0.70421200  1
  O  O39  1  0.00000000  0.42214900  0.59095400  1
  O  O40  1  0.50000000  0.41940500  0.20500500  1
  O  O41  1  0.00000000  0.42119200  0.08969000  1
  O  O42  1  0.31333100  0.31158800  0.91598100  1
  O  O43  1  0.68666900  0.31158800  0.91598100  1
  O  O44  1  0.68762900  0.31101200  0.41625800  1
  O  O45  1  0.31237100  0.31101200  0.41625800  1
  O  O46  1  0.00000000  0.14816800  0.76124800  1
  O  O47  1  0.50000000  0.10944500  0.68498300  1
  O  O48  1  0.00000000  0.15523400  0.25827200  1
  O  O49  1  0.00000000  0.05728800  0.97730700  1
  O  O50  1  0.50000000  0.10950000  0.18393400  1
  O  O51  1  0.00000000  0.07285700  0.47487000  1
