# generated using pymatgen
data_Ca3CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37093660
_cell_length_b   9.19692817
_cell_length_c   8.83188890
_cell_angle_alpha   89.99140391
_cell_angle_beta   90.00034434
_cell_angle_gamma   87.47768479
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3CoO6
_chemical_formula_sum   'Ca12 Co4 O24'
_cell_volume   516.98590531
_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
  Ca  Ca0  1  0.10151700  0.57630000  0.82364600  1.0
  Ca  Ca1  1  0.10560900  0.07345800  0.32302500  1.0
  Ca  Ca2  1  0.74937400  0.25013300  0.85380200  1.0
  Ca  Ca3  1  0.75053000  0.74983100  0.35375000  1.0
  Ca  Ca4  1  0.60161600  0.57617700  0.67642200  1.0
  Ca  Ca5  1  0.60564600  0.07340600  0.17697600  1.0
  Ca  Ca6  1  0.89844500  0.42366700  0.17637400  1.0
  Ca  Ca7  1  0.89442100  0.92657600  0.67696500  1.0
  Ca  Ca8  1  0.25072800  0.74987100  0.14621400  1.0
  Ca  Ca9  1  0.24937600  0.25012000  0.64623000  1.0
  Ca  Ca10  1  0.39838000  0.42380000  0.32357000  1.0
  Ca  Ca11  1  0.39439100  0.92660900  0.82300100  1.0
  Co  Co12  1  0.99989800  0.49994000  0.49999600  1.0
  Co  Co13  1  0.50012500  0.50005300  0.00001200  1.0
  Co  Co14  1  0.00001500  0.00011400  0.00000500  1.0
  Co  Co15  1  0.49986000  0.99991700  0.50000800  1.0
  O  O16  1  0.77626600  0.50103200  0.92794500  1.0
  O  O17  1  0.77706100  0.00387300  0.42766000  1.0
  O  O18  1  0.72364600  0.49882000  0.42784300  1.0
  O  O19  1  0.72317800  0.99630300  0.92780900  1.0
  O  O20  1  0.57774300  0.60272800  0.17139200  1.0
  O  O21  1  0.57576700  0.10479500  0.67287500  1.0
  O  O22  1  0.56774300  0.32535500  0.10091100  1.0
  O  O23  1  0.56667100  0.82830000  0.60055000  1.0
  O  O24  1  0.93329500  0.17174200  0.10081300  1.0
  O  O25  1  0.93196500  0.67463000  0.60086300  1.0
  O  O26  1  0.42194800  0.39723000  0.82867900  1.0
  O  O27  1  0.42430200  0.89518800  0.32696400  1.0
  O  O28  1  0.43218100  0.67464000  0.89900400  1.0
  O  O29  1  0.43336400  0.17168800  0.39939700  1.0
  O  O30  1  0.92227900  0.39727900  0.67132100  1.0
  O  O31  1  0.92410600  0.89505800  0.17284000  1.0
  O  O32  1  0.07796000  0.60276700  0.32874700  1.0
  O  O33  1  0.07588400  0.10488700  0.82723900  1.0
  O  O34  1  0.27648300  0.50123100  0.57220800  1.0
  O  O35  1  0.27688600  0.00375200  0.07216300  1.0
  O  O36  1  0.06661900  0.82818600  0.89934200  1.0
  O  O37  1  0.06814500  0.32540800  0.39907400  1.0
  O  O38  1  0.22358300  0.49891300  0.07211600  1.0
  O  O39  1  0.22299100  0.99622300  0.57224800  1.0