# generated using pymatgen
data_Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45508100
_cell_length_b   9.43843800
_cell_length_c   10.26410125
_cell_angle_alpha   62.17159080
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2P2(CO7)2
_chemical_formula_sum   'Li6 Fe4 P4 C4 O28'
_cell_volume   553.02751913
_cell_formula_units_Z   2
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  0.50527200  0.11110400  0.55820300  1
  Li  Li1  1  0.49472800  0.11110400  0.05820300  1
  Li  Li2  1  0.20764500  0.71530900  0.76900300  1
  Li  Li3  1  0.79235500  0.71530900  0.26900300  1
  Li  Li4  1  0.00140900  0.90065100  0.92935400  1
  Li  Li5  1  0.99859100  0.90065100  0.42935400  1
  Fe  Fe6  1  0.00050200  0.32941300  0.93377600  1
  Fe  Fe7  1  0.99949800  0.32941300  0.43377600  1
  Fe  Fe8  1  0.50305600  0.66703800  0.56711000  1
  Fe  Fe9  1  0.49694400  0.66703800  0.06711000  1
  P  P10  1  0.49653400  0.42236700  0.92781800  1
  P  P11  1  0.50346600  0.42236700  0.42781800  1
  P  P12  1  0.99842200  0.57901300  0.57385200  1
  P  P13  1  0.00157800  0.57901300  0.07385200  1
  C  C14  1  0.01184600  0.03797800  0.62675800  1
  C  C15  1  0.98815400  0.03797800  0.12675800  1
  C  C16  1  0.49865500  0.95774700  0.87238900  1
  C  C17  1  0.50134500  0.95774700  0.37238900  1
  O  O18  1  0.99637700  0.07115800  0.98857300  1
  O  O19  1  0.00362300  0.07115800  0.48857300  1
  O  O20  1  0.49994100  0.09437400  0.76386500  1
  O  O21  1  0.00039500  0.16135000  0.65084800  1
  O  O22  1  0.50005900  0.09437400  0.26386500  1
  O  O23  1  0.99960500  0.16135000  0.15084800  1
  O  O24  1  0.31259900  0.30708900  0.95190800  1
  O  O25  1  0.68838300  0.31912400  0.94139600  1
  O  O26  1  0.31161700  0.31912400  0.44139600  1
  O  O27  1  0.68740100  0.30708900  0.45190800  1
  O  O28  1  0.00251700  0.42646500  0.72110800  1
  O  O29  1  0.50116200  0.47529200  0.54958100  1
  O  O30  1  0.99748300  0.42646500  0.22110800  1
  O  O31  1  0.49883800  0.47529200  0.04958100  1
  O  O32  1  0.00993900  0.53640300  0.94435700  1
  O  O33  1  0.47434600  0.57842700  0.77950100  1
  O  O34  1  0.99006100  0.53640300  0.44435700  1
  O  O35  1  0.52565400  0.57842700  0.27950100  1
  O  O36  1  0.81163800  0.69188300  0.55451400  1
  O  O37  1  0.18477100  0.69246300  0.55831200  1
  O  O38  1  0.18836200  0.69188300  0.05451400  1
  O  O39  1  0.81522900  0.69246300  0.05831200  1
  O  O40  1  0.48794700  0.83037600  0.85155500  1
  O  O41  1  0.03131400  0.89773000  0.73390700  1
  O  O42  1  0.51205300  0.83037600  0.35155500  1
  O  O43  1  0.96868600  0.89773000  0.23390700  1
  O  O44  1  0.49186000  0.92613600  0.51048500  1
  O  O45  1  0.50814000  0.92613600  0.01048500  1
