# generated using pymatgen
data_Ba2Ca4TlCu5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83776300
_cell_length_b   3.85260300
_cell_length_c   22.66977200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca4TlCu5O13
_chemical_formula_sum   'Ba2 Ca4 Tl1 Cu5 O13'
_cell_volume   335.18113113
_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  0.00000000  0.01106000  0.61776900  1.0
  Ba  Ba1  1  0.00000000  0.01106000  0.38223100  1.0
  Ca  Ca2  1  0.00000000  0.00000800  0.92664700  1.0
  Ca  Ca3  1  0.00000000  0.00000800  0.07335300  1.0
  Ca  Ca4  1  0.00000000  0.00107900  0.77973400  1.0
  Ca  Ca5  1  0.00000000  0.00107900  0.22026600  1.0
  Tl  Tl6  1  0.50000000  0.58358100  0.50000000  1.0
  Cu  Cu7  1  0.50000000  0.50286200  0.70846700  1.0
  Cu  Cu8  1  0.50000000  0.50286200  0.29153300  1.0
  Cu  Cu9  1  0.50000000  0.50008900  0.85468300  1.0
  Cu  Cu10  1  0.50000000  0.50008900  0.14531700  1.0
  Cu  Cu11  1  0.50000000  0.50001700  0.00000000  1.0
  O  O12  1  0.50000000  0.00007900  0.85776500  1.0
  O  O13  1  0.00000000  0.50007500  0.85793200  1.0
  O  O14  1  0.50000000  0.00007900  0.14223500  1.0
  O  O15  1  0.00000000  0.50007500  0.14206800  1.0
  O  O16  1  0.50000000  0.50344800  0.59315300  1.0
  O  O17  1  0.50000000  0.50344800  0.40684700  1.0
  O  O18  1  0.50000000  0.00264800  0.71711300  1.0
  O  O19  1  0.00000000  0.50237000  0.71754000  1.0
  O  O20  1  0.50000000  0.00264800  0.28288700  1.0
  O  O21  1  0.00000000  0.50237000  0.28246000  1.0
  O  O22  1  0.00000000  0.93693400  0.50000000  1.0
  O  O23  1  0.50000000  0.00001300  0.00000000  1.0
  O  O24  1  0.00000000  0.50001700  0.00000000  1.0