# generated using pymatgen
data_Li12MnCr3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49949100
_cell_length_b   8.68172000
_cell_length_c   10.00003621
_cell_angle_alpha   85.37969262
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12MnCr3P4(CO7)4
_chemical_formula_sum   'Li12 Mn1 Cr3 P4 C4 O28'
_cell_volume   562.43599738
_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  0.89774000  0.61103200  1
  Li  Li1  1  0.00000000  0.89735800  0.11795800  1
  Li  Li2  1  0.22394100  0.72841800  0.86996000  1
  Li  Li3  1  0.77605900  0.72841800  0.86996000  1
  Li  Li4  1  0.22641400  0.72863500  0.37263400  1
  Li  Li5  1  0.77358600  0.72863500  0.37263400  1
  Li  Li6  1  0.72454200  0.27287300  0.62813700  1
  Li  Li7  1  0.27545800  0.27287300  0.62813700  1
  Li  Li8  1  0.72250900  0.27024100  0.12847000  1
  Li  Li9  1  0.27749100  0.27024100  0.12847000  1
  Li  Li10  1  0.50000000  0.10738900  0.88549200  1
  Li  Li11  1  0.50000000  0.10917400  0.38668000  1
  Mn  Mn12  1  0.00000000  0.34081600  0.38946500  1
  Cr  Cr13  1  0.50000000  0.66530400  0.60341100  1
  Cr  Cr14  1  0.50000000  0.66491900  0.10337800  1
  Cr  Cr15  1  0.00000000  0.33320500  0.89654700  1
  P  P16  1  0.00000000  0.58800900  0.64001100  1
  P  P17  1  0.00000000  0.58785500  0.13803900  1
  P  P18  1  0.50000000  0.41130800  0.86203200  1
  P  P19  1  0.50000000  0.41044200  0.36324800  1
  C  C20  1  0.50000000  0.96675500  0.64769300  1
  C  C21  1  0.50000000  0.96627000  0.14777000  1
  C  C22  1  0.00000000  0.03217700  0.85109300  1
  C  C23  1  0.00000000  0.03469800  0.34966400  1
  O  O24  1  0.50000000  0.94444800  0.52225200  1
  O  O25  1  0.00000000  0.89343700  0.80990000  1
  O  O26  1  0.50000000  0.94419300  0.02247100  1
  O  O27  1  0.50000000  0.84611000  0.73609500  1
  O  O28  1  0.00000000  0.89155100  0.31771000  1
  O  O29  1  0.50000000  0.84554600  0.23617500  1
  O  O30  1  0.18626800  0.68651700  0.58273400  1
  O  O31  1  0.81373200  0.68651700  0.58273400  1
  O  O32  1  0.18626600  0.68674500  0.08340600  1
  O  O33  1  0.81373400  0.68674500  0.08340600  1
  O  O34  1  0.50000000  0.57711200  0.90859300  1
  O  O35  1  0.00000000  0.58167700  0.79561400  1
  O  O36  1  0.50000000  0.57707800  0.40847800  1
  O  O37  1  0.00000000  0.57625000  0.29454800  1
  O  O38  1  0.50000000  0.41903900  0.70673300  1
  O  O39  1  0.00000000  0.42173600  0.59538600  1
  O  O40  1  0.50000000  0.41809400  0.20752000  1
  O  O41  1  0.00000000  0.42181600  0.09250300  1
  O  O42  1  0.31371500  0.31272300  0.91865600  1
  O  O43  1  0.68628500  0.31272300  0.91865600  1
  O  O44  1  0.68530500  0.31211000  0.41996400  1
  O  O45  1  0.31469500  0.31211000  0.41996400  1
  O  O46  1  0.00000000  0.15252300  0.76246700  1
  O  O47  1  0.50000000  0.10536300  0.68887200  1
  O  O48  1  0.00000000  0.14731600  0.25466900  1
  O  O49  1  0.00000000  0.05480300  0.97615800  1
  O  O50  1  0.50000000  0.10486400  0.18919000  1
  O  O51  1  0.00000000  0.06710000  0.47322800  1
