# generated using pymatgen
data_Li12Mn3CrP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56663700
_cell_length_b   8.58611700
_cell_length_c   10.00993226
_cell_angle_alpha   85.57578069
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Mn3CrP4(CO7)4
_chemical_formula_sum   'Li12 Mn3 Cr1 P4 C4 O28'
_cell_volume   562.69741761
_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  0.90786200  0.62093900  1
  Li  Li1  1  0.00000000  0.90759400  0.12012000  1
  Li  Li2  1  0.22206600  0.72678100  0.87719200  1
  Li  Li3  1  0.77793400  0.72678100  0.87719200  1
  Li  Li4  1  0.22129200  0.72657800  0.37664200  1
  Li  Li5  1  0.77870800  0.72657800  0.37664200  1
  Li  Li6  1  0.72378400  0.27302400  0.62373100  1
  Li  Li7  1  0.27621600  0.27302400  0.62373100  1
  Li  Li8  1  0.72349500  0.27333200  0.12296900  1
  Li  Li9  1  0.27650500  0.27333200  0.12296900  1
  Li  Li10  1  0.50000000  0.09165000  0.87957700  1
  Li  Li11  1  0.50000000  0.09010400  0.37908400  1
  Mn  Mn12  1  0.50000000  0.65977000  0.61135400  1
  Mn  Mn13  1  0.50000000  0.66025600  0.11015700  1
  Mn  Mn14  1  0.00000000  0.34086400  0.88932600  1
  Cr  Cr15  1  0.00000000  0.33499700  0.39220100  1
  P  P16  1  0.00000000  0.59001000  0.63953100  1
  P  P17  1  0.00000000  0.59006600  0.14042700  1
  P  P18  1  0.50000000  0.41025800  0.86017100  1
  P  P19  1  0.50000000  0.41158600  0.35908000  1
  C  C20  1  0.50000000  0.96700100  0.64765900  1
  C  C21  1  0.50000000  0.96696500  0.14801500  1
  C  C22  1  0.00000000  0.03320800  0.85224900  1
  C  C23  1  0.00000000  0.03199800  0.35299800  1
  O  O24  1  0.50000000  0.93069200  0.52511600  1
  O  O25  1  0.00000000  0.88796600  0.82208000  1
  O  O26  1  0.50000000  0.93085000  0.02524000  1
  O  O27  1  0.50000000  0.85611400  0.74463300  1
  O  O28  1  0.00000000  0.88774000  0.32062700  1
  O  O29  1  0.50000000  0.85595600  0.24478700  1
  O  O30  1  0.18454700  0.68924400  0.58565400  1
  O  O31  1  0.81545300  0.68924400  0.58565400  1
  O  O32  1  0.18464900  0.68908600  0.08517500  1
  O  O33  1  0.81535100  0.68908600  0.08517500  1
  O  O34  1  0.50000000  0.57884100  0.90549200  1
  O  O35  1  0.00000000  0.57685100  0.79633900  1
  O  O36  1  0.50000000  0.57914400  0.40590400  1
  O  O37  1  0.00000000  0.57953600  0.29650000  1
  O  O38  1  0.50000000  0.42335500  0.70332800  1
  O  O39  1  0.00000000  0.42151600  0.59384300  1
  O  O40  1  0.50000000  0.42364900  0.20275000  1
  O  O41  1  0.00000000  0.42171500  0.09394900  1
  O  O42  1  0.31556900  0.31085300  0.91418500  1
  O  O43  1  0.68443100  0.31085300  0.91418500  1
  O  O44  1  0.68633200  0.31271300  0.41276700  1
  O  O45  1  0.31366800  0.31271300  0.41276700  1
  O  O46  1  0.00000000  0.14419700  0.75539600  1
  O  O47  1  0.50000000  0.11233600  0.67757900  1
  O  O48  1  0.00000000  0.14524000  0.25782700  1
  O  O49  1  0.00000000  0.06927000  0.97496100  1
  O  O50  1  0.50000000  0.11215300  0.17813200  1
  O  O51  1  0.00000000  0.06547000  0.47599600  1
