# generated using pymatgen
data_Ca5(CuO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46574500
_cell_length_b   5.47217400
_cell_length_c   17.03439788
_cell_angle_alpha   75.02855409
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(CuO2)6
_chemical_formula_sum   'Ca10 Cu12 O24'
_cell_volume   582.24661479
_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
  Ca  Ca0  1  0.24924000  0.50472100  0.54802700  1.0
  Ca  Ca1  1  0.24924000  0.49527900  0.95197300  1.0
  Ca  Ca2  1  0.75076000  0.49527900  0.45197300  1.0
  Ca  Ca3  1  0.75076000  0.50472100  0.04802700  1.0
  Ca  Ca4  1  0.25429500  0.50926800  0.14526900  1.0
  Ca  Ca5  1  0.25429500  0.49073200  0.35473100  1.0
  Ca  Ca6  1  0.74570500  0.49073200  0.85473100  1.0
  Ca  Ca7  1  0.74570500  0.50926800  0.64526900  1.0
  Ca  Ca8  1  0.24385500  0.50000000  0.75000000  1.0
  Ca  Ca9  1  0.75614500  0.50000000  0.25000000  1.0
  Cu  Cu10  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu11  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu12  1  0.98646500  0.99510700  0.83450000  1.0
  Cu  Cu13  1  0.98646500  0.00489300  0.66550000  1.0
  Cu  Cu14  1  0.01353500  0.00489300  0.16550000  1.0
  Cu  Cu15  1  0.01353500  0.99510700  0.33450000  1.0
  Cu  Cu16  1  0.48919300  0.99439200  0.91804500  1.0
  Cu  Cu17  1  0.48919300  0.00560800  0.58195500  1.0
  Cu  Cu18  1  0.51080700  0.00560800  0.08195500  1.0
  Cu  Cu19  1  0.51080700  0.99439200  0.41804500  1.0
  Cu  Cu20  1  0.48653800  0.00000000  0.75000000  1.0
  Cu  Cu21  1  0.51346200  0.00000000  0.25000000  1.0
  O  O22  1  0.04040800  0.76040500  0.60675200  1.0
  O  O23  1  0.04040800  0.23959500  0.89324800  1.0
  O  O24  1  0.95959200  0.23959500  0.39324800  1.0
  O  O25  1  0.95959200  0.76040500  0.10675200  1.0
  O  O26  1  0.94477600  0.74734600  0.93550400  1.0
  O  O27  1  0.94477600  0.25265400  0.56449600  1.0
  O  O28  1  0.05522400  0.25265400  0.06449600  1.0
  O  O29  1  0.05522400  0.74734600  0.43550400  1.0
  O  O30  1  0.97559400  0.76230200  0.76843700  1.0
  O  O31  1  0.97559400  0.23769800  0.73156300  1.0
  O  O32  1  0.02440600  0.23769800  0.23156300  1.0
  O  O33  1  0.02440600  0.76230200  0.26843700  1.0
  O  O34  1  0.55732700  0.24872600  0.97741500  1.0
  O  O35  1  0.55732700  0.75127400  0.52258500  1.0
  O  O36  1  0.44267300  0.75127400  0.02258500  1.0
  O  O37  1  0.44267300  0.24872600  0.47741500  1.0
  O  O38  1  0.45496300  0.24771600  0.65047300  1.0
  O  O39  1  0.45496300  0.75228400  0.84952700  1.0
  O  O40  1  0.54503700  0.75228400  0.34952700  1.0
  O  O41  1  0.54503700  0.24771600  0.15047300  1.0
  O  O42  1  0.50686800  0.23317800  0.81256400  1.0
  O  O43  1  0.50686800  0.76682200  0.68743600  1.0
  O  O44  1  0.49313200  0.76682200  0.18743600  1.0
  O  O45  1  0.49313200  0.23317800  0.31256400  1.0