# generated using pymatgen
data_LiFe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77864400
_cell_length_b   5.17168500
_cell_length_c   6.38064442
_cell_angle_alpha   68.28794382
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(CO3)2
_chemical_formula_sum   'Li2 Fe2 C4 O12'
_cell_volume   238.47442550
_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  0.43769400  0.44780000  0.93421200  1
  Li  Li1  1  0.93769400  0.55220000  0.06578800  1
  Fe  Fe2  1  0.49959300  0.75670900  0.27176400  1
  Fe  Fe3  1  0.99959300  0.24329100  0.72823600  1
  C  C4  1  0.23513800  0.48806900  0.36645700  1
  C  C5  1  0.73513800  0.51193100  0.63354300  1
  C  C6  1  0.26299600  0.97073900  0.88715700  1
  C  C7  1  0.76299600  0.02926100  0.11284300  1
  O  O8  1  0.36837900  0.37730100  0.31113200  1
  O  O9  1  0.08640900  0.36427500  0.41180500  1
  O  O10  1  0.75458500  0.26230700  0.63099700  1
  O  O11  1  0.25458500  0.73769300  0.36900300  1
  O  O12  1  0.58640900  0.63572500  0.58819500  1
  O  O13  1  0.86837900  0.62269900  0.68886800  1
  O  O14  1  0.11969100  0.85579000  0.85976200  1
  O  O15  1  0.40376800  0.83267400  0.94627700  1
  O  O16  1  0.75384400  0.76210100  0.15410000  1
  O  O17  1  0.25384400  0.23789900  0.84590000  1
  O  O18  1  0.90376800  0.16732600  0.05372300  1
  O  O19  1  0.61969100  0.14421000  0.14023800  1
