# generated using pymatgen
data_BaCa2Cu3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94736300
_cell_length_b   3.94736300
_cell_length_c   20.91574100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Cu3O5
_chemical_formula_sum   'Ba2 Ca4 Cu6 O10'
_cell_volume   325.90227140
_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
  Ba  Ba0  1  0.50000000  0.50000000  0.38770100  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.61229900  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.07470800  1.0
  Ca  Ca3  1  0.50000000  0.50000000  0.92529200  1.0
  Ca  Ca4  1  0.50000000  0.50000000  0.22386300  1.0
  Ca  Ca5  1  0.50000000  0.50000000  0.77613700  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.30126700  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.69873300  1.0
  Cu  Cu8  1  0.00000000  0.00000000  0.15148500  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.84851500  1.0
  Cu  Cu10  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu11  1  0.00000000  0.00000000  0.50000000  1.0
  O  O12  1  0.00000000  0.50000000  0.30614100  1.0
  O  O13  1  0.00000000  0.50000000  0.69385900  1.0
  O  O14  1  0.50000000  0.00000000  0.30614100  1.0
  O  O15  1  0.50000000  0.00000000  0.69385900  1.0
  O  O16  1  0.00000000  0.50000000  0.15295300  1.0
  O  O17  1  0.00000000  0.50000000  0.84704700  1.0
  O  O18  1  0.50000000  0.00000000  0.15295300  1.0
  O  O19  1  0.50000000  0.00000000  0.84704700  1.0
  O  O20  1  0.00000000  0.50000000  0.00000000  1.0
  O  O21  1  0.50000000  0.00000000  0.00000000  1.0