# generated using pymatgen
data_Li2FeAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18065181
_cell_length_b   8.66636843
_cell_length_c   13.22067119
_cell_angle_alpha   89.98503534
_cell_angle_beta   90.01154596
_cell_angle_gamma   86.52928368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeAsCO7
_chemical_formula_sum   'Li8 Fe4 As4 C4 O28'
_cell_volume   592.48552818
_cell_formula_units_Z   4
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  0.20628600  0.20578300  0.25669700  1
  Li  Li1  1  0.20629800  0.20578100  0.75669100  1
  Li  Li2  1  0.20641200  0.20577600  0.49330400  1
  Li  Li3  1  0.20642500  0.20575900  0.99331000  1
  Li  Li4  1  0.79370600  0.79421200  0.24330400  1
  Li  Li5  1  0.79370800  0.79421700  0.74330800  1
  Li  Li6  1  0.79358700  0.79422700  0.00669700  1
  Li  Li7  1  0.79357800  0.79424100  0.50669000  1
  Fe  Fe8  1  0.78747300  0.34247700  0.87501800  1
  Fe  Fe9  1  0.21250700  0.65752200  0.62498000  1
  Fe  Fe10  1  0.78746500  0.34248000  0.37502000  1
  Fe  Fe11  1  0.21253100  0.65752000  0.12498000  1
  As  As12  1  0.72288500  0.42201500  0.12500900  1
  As  As13  1  0.72288000  0.42203000  0.62501100  1
  As  As14  1  0.27711400  0.57798500  0.37499100  1
  As  As15  1  0.27712600  0.57796800  0.87498900  1
  C  C16  1  0.73819700  0.05381700  0.37498700  1
  C  C17  1  0.73821500  0.05380600  0.87498900  1
  C  C18  1  0.26179600  0.94618300  0.12501300  1
  C  C19  1  0.26179300  0.94619300  0.62501100  1
  O  O20  1  0.29029700  0.09039600  0.12502500  1
  O  O21  1  0.29029500  0.09041000  0.62501700  1
  O  O22  1  0.70969300  0.90960400  0.37497600  1
  O  O23  1  0.70970500  0.90959200  0.87498300  1
  O  O24  1  0.96688100  0.11258900  0.37503700  1
  O  O25  1  0.96690100  0.11257700  0.87503400  1
  O  O26  1  0.03311300  0.88740900  0.12496300  1
  O  O27  1  0.03310300  0.88742300  0.62496600  1
  O  O28  1  0.54178000  0.15816800  0.37500000  1
  O  O29  1  0.54180000  0.15815700  0.87500400  1
  O  O30  1  0.45821500  0.84183300  0.12499900  1
  O  O31  1  0.45820600  0.84184500  0.62499600  1
  O  O32  1  0.16619300  0.39401400  0.37506400  1
  O  O33  1  0.16621200  0.39399300  0.87505700  1
  O  O34  1  0.83380600  0.60598600  0.12493600  1
  O  O35  1  0.83379300  0.60600500  0.62494300  1
  O  O36  1  0.38977200  0.44965300  0.12501600  1
  O  O37  1  0.38976500  0.44966000  0.62501600  1
  O  O38  1  0.61022800  0.55034700  0.37498400  1
  O  O39  1  0.61024400  0.55034400  0.87498400  1
  O  O40  1  0.82887400  0.31554300  0.02320600  1
  O  O41  1  0.82884700  0.31556400  0.52320400  1
  O  O42  1  0.82943300  0.31555600  0.22677600  1
  O  O43  1  0.82942100  0.31556700  0.72677600  1
  O  O44  1  0.17056300  0.68444400  0.27322400  1
  O  O45  1  0.17059000  0.68443200  0.77322400  1
  O  O46  1  0.17113000  0.68445500  0.47679400  1
  O  O47  1  0.17115900  0.68443900  0.97679400  1
