# generated using pymatgen
data_Li6CrFe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57212300
_cell_length_b   8.62095068
_cell_length_c   8.62247932
_cell_angle_alpha   61.36711131
_cell_angle_beta   61.38789476
_cell_angle_gamma   61.40404141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6CrFe3(PO4)6
_chemical_formula_sum   'Li6 Cr1 Fe3 P6 O24'
_cell_volume   464.60110389
_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  0.02517200  0.00685400  0.99741300  1
  Li  Li1  1  0.75025000  0.15325000  0.34704200  1
  Li  Li2  1  0.47573400  0.50311700  0.49378600  1
  Li  Li3  1  0.24988400  0.84308800  0.65252500  1
  Li  Li4  1  0.65485900  0.25157400  0.84112300  1
  Li  Li5  1  0.84072700  0.65493300  0.24948300  1
  Cr  Cr6  1  0.85610700  0.85449300  0.85446500  1
  Fe  Fe7  1  0.14627600  0.14456800  0.13712000  1
  Fe  Fe8  1  0.35300400  0.36297500  0.35454600  1
  Fe  Fe9  1  0.64699700  0.64785000  0.64874000  1
  P  P10  1  0.04848500  0.75099700  0.45268400  1
  P  P11  1  0.45352200  0.04937800  0.74807500  1
  P  P12  1  0.74961300  0.45564800  0.04634000  1
  P  P13  1  0.24934600  0.54158300  0.95762600  1
  P  P14  1  0.54399700  0.96175400  0.25014100  1
  P  P15  1  0.95540200  0.24837300  0.53758400  1
  O  O16  1  0.12686400  0.29129000  0.49608600  1
  O  O17  1  0.30103500  0.50989900  0.11881300  1
  O  O18  1  0.04480100  0.92293500  0.27110700  1
  O  O19  1  0.52988500  0.12038600  0.29638500  1
  O  O20  1  0.23888400  0.59309700  0.42987800  1
  O  O21  1  0.01910000  0.80324600  0.61530700  1
  O  O22  1  0.26391600  0.06769600  0.90786300  1
  O  O23  1  0.45229700  0.23174500  0.57716100  1
  O  O24  1  0.59265700  0.43115300  0.24006400  1
  O  O25  1  0.19677900  0.38061000  0.99050300  1
  O  O26  1  0.08760000  0.73488300  0.93500700  1
  O  O27  1  0.37241900  0.00363200  0.20730300  1
  O  O28  1  0.61551900  0.01609100  0.80476700  1
  O  O29  1  0.90768000  0.26249600  0.06727500  1
  O  O30  1  0.80497300  0.61553100  0.01609400  1
  O  O31  1  0.41028400  0.56676700  0.76397100  1
  O  O32  1  0.56599800  0.76837400  0.41070400  1
  O  O33  1  0.73365500  0.93406800  0.08564300  1
  O  O34  1  0.96989800  0.20147600  0.37939500  1
  O  O35  1  0.76525100  0.41151400  0.56842700  1
  O  O36  1  0.48640100  0.88636300  0.69322400  1
  O  O37  1  0.93657100  0.08654400  0.73036000  1
  O  O38  1  0.69117300  0.48844200  0.88710400  1
  O  O39  1  0.88698000  0.69032700  0.48986400  1
