# generated using pymatgen
data_Ba4CaNd3(Co4O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.04308607
_cell_length_b   8.86116462
_cell_length_c   8.65994223
_cell_angle_alpha   78.13126979
_cell_angle_beta   51.74499426
_cell_angle_gamma   50.12373595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4CaNd3(Co4O11)2
_chemical_formula_sum   'Ba4 Ca1 Nd3 Co8 O22'
_cell_volume   484.27031115
_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
  Ba  Ba0  1  0.62724900  0.12407200  0.87592800  1.0
  Ba  Ba1  1  0.12407200  0.62724900  0.37275100  1.0
  Ba  Ba2  1  0.37420400  0.87379800  0.12620200  1.0
  Ba  Ba3  1  0.87379800  0.37420400  0.62579600  1.0
  Ca  Ca4  1  0.86825100  0.86825100  0.13174900  1.0
  Nd  Nd5  1  0.36659000  0.36659000  0.63341000  1.0
  Nd  Nd6  1  0.63613100  0.63613100  0.36386900  1.0
  Nd  Nd7  1  0.13383900  0.13383900  0.86616100  1.0
  Co  Co8  1  0.12578000  0.87245800  0.63017000  1.0
  Co  Co9  1  0.62840800  0.36983000  0.12754200  1.0
  Co  Co10  1  0.87245800  0.12578000  0.37159200  1.0
  Co  Co11  1  0.36983000  0.62840800  0.87422000  1.0
  Co  Co12  1  0.37880700  0.12368800  0.37424500  1.0
  Co  Co13  1  0.87674000  0.62575500  0.87631200  1.0
  Co  Co14  1  0.12368800  0.37880700  0.12326000  1.0
  Co  Co15  1  0.62575500  0.87674000  0.62119300  1.0
  O  O16  1  0.40496300  0.59563400  0.40436600  1.0
  O  O17  1  0.90415400  0.09885200  0.90114800  1.0
  O  O18  1  0.59563400  0.40496300  0.59503700  1.0
  O  O19  1  0.09885200  0.90415400  0.09584600  1.0
  O  O20  1  0.52896400  0.24291400  0.26221900  1.0
  O  O21  1  0.03409700  0.73778100  0.75708600  1.0
  O  O22  1  0.96608500  0.26067400  0.23980500  1.0
  O  O23  1  0.46656400  0.76019500  0.73932600  1.0
  O  O24  1  0.76019500  0.46656400  0.03391500  1.0
  O  O25  1  0.26067400  0.96608500  0.53343600  1.0
  O  O26  1  0.73778100  0.03409700  0.47103600  1.0
  O  O27  1  0.24291400  0.52896400  0.96590300  1.0
  O  O28  1  0.00038200  0.00038200  0.49961800  1.0
  O  O29  1  0.50038200  0.50038200  0.99961800  1.0
  O  O30  1  0.13472000  0.36559200  0.63440800  1.0
  O  O31  1  0.63258800  0.86317900  0.13682100  1.0
  O  O32  1  0.36559200  0.13472000  0.86528000  1.0
  O  O33  1  0.86317900  0.63258800  0.36741200  1.0
  O  O34  1  0.49267700  0.00315400  0.50732300  1.0
  O  O35  1  0.00315500  0.49267700  0.99684500  1.0
  O  O36  1  0.75042400  0.75042400  0.74957600  1.0
  O  O37  1  0.25042400  0.25042400  0.24957600  1.0