# generated using pymatgen
data_Ca3Co4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32874800
_cell_length_b   11.15678572
_cell_length_c   11.15678551
_cell_angle_alpha   99.00573387
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Co4O9
_chemical_formula_sum   'Ca9 Co12 O27'
_cell_volume   655.11327471
_cell_formula_units_Z   3
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  0.00228500  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.08746400  0.40084000  0.59916000  1.0
  Ca  Ca2  1  0.08746400  0.59916000  0.40084000  1.0
  Ca  Ca3  1  0.03958400  0.08199900  0.65916800  1.0
  Ca  Ca4  1  0.03958400  0.91800100  0.34083200  1.0
  Ca  Ca5  1  0.03958400  0.34083200  0.91800100  1.0
  Ca  Ca6  1  0.03958400  0.65916800  0.08199900  1.0
  Ca  Ca7  1  0.05404500  0.76002600  0.76002600  1.0
  Ca  Ca8  1  0.05404500  0.23997400  0.23997400  1.0
  Co  Co9  1  0.51483100  0.98337900  0.79648900  1.0
  Co  Co10  1  0.51483100  0.01662100  0.20351100  1.0
  Co  Co11  1  0.51483100  0.20351100  0.01662100  1.0
  Co  Co12  1  0.51483100  0.79648900  0.98337900  1.0
  Co  Co13  1  0.56609600  0.13439600  0.46269700  1.0
  Co  Co14  1  0.56609600  0.86560400  0.53730300  1.0
  Co  Co15  1  0.56609600  0.53730300  0.86560400  1.0
  Co  Co16  1  0.56609600  0.46269700  0.13439600  1.0
  Co  Co17  1  0.60117600  0.61457800  0.61457800  1.0
  Co  Co18  1  0.60117600  0.38542200  0.38542200  1.0
  Co  Co19  1  0.52729100  0.26426600  0.73573400  1.0
  Co  Co20  1  0.52729100  0.73573400  0.26426600  1.0
  O  O21  1  0.26933500  0.60670800  0.60670800  1.0
  O  O22  1  0.26933500  0.39329200  0.39329200  1.0
  O  O23  1  0.32918900  0.89447500  0.89447500  1.0
  O  O24  1  0.32918900  0.10552500  0.10552500  1.0
  O  O25  1  0.35079600  0.20875900  0.59176800  1.0
  O  O26  1  0.35079600  0.79124100  0.40823200  1.0
  O  O27  1  0.35079600  0.40823200  0.79124100  1.0
  O  O28  1  0.35079600  0.59176800  0.20875900  1.0
  O  O29  1  0.40466100  0.15431000  0.84569000  1.0
  O  O30  1  0.40466100  0.84569000  0.15431000  1.0
  O  O31  1  0.32993100  0.06937300  0.34772600  1.0
  O  O32  1  0.32993100  0.93062700  0.65227400  1.0
  O  O33  1  0.32993100  0.65227400  0.93062700  1.0
  O  O34  1  0.32993100  0.34772600  0.06937300  1.0
  O  O35  1  0.77925300  0.50000000  0.50000000  1.0
  O  O36  1  0.84616300  0.97728900  0.79739400  1.0
  O  O37  1  0.84616300  0.02271100  0.20260600  1.0
  O  O38  1  0.84616300  0.20260600  0.02271100  1.0
  O  O39  1  0.84616300  0.79739400  0.97728900  1.0
  O  O40  1  0.86149400  0.26997900  0.73002100  1.0
  O  O41  1  0.86149400  0.73002100  0.26997900  1.0
  O  O42  1  0.77544600  0.24746100  0.41758800  1.0
  O  O43  1  0.77544600  0.75253900  0.58241200  1.0
  O  O44  1  0.77544600  0.58241200  0.75253900  1.0
  O  O45  1  0.77544600  0.41758800  0.24746100  1.0
  O  O46  1  0.76042300  0.00000000  0.50000000  1.0
  O  O47  1  0.76042300  0.50000000  0.00000000  1.0