# generated using pymatgen
data_Ba2Ca3Tl2(CuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.79863883
_cell_length_b   21.79863883
_cell_length_c   21.79863883
_cell_angle_alpha   169.78503058
_cell_angle_beta   169.78503058
_cell_angle_gamma   14.46541098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca3Tl2(CuO3)4
_chemical_formula_sum   'Ba2 Ca3 Tl2 Cu4 O12'
_cell_volume   325.75931306
_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  0.15698800  0.15698800  0.00000000  1.0
  Ba  Ba1  1  0.84301200  0.84301200  0.00000000  1.0
  Ca  Ca2  1  0.07503200  0.07503200  0.00000000  1.0
  Ca  Ca3  1  0.92496800  0.92496800  0.00000000  1.0
  Ca  Ca4  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl5  1  0.72349300  0.72349300  0.00000000  1.0
  Tl  Tl6  1  0.27650700  0.27650700  0.00000000  1.0
  Cu  Cu7  1  0.53754100  0.53754100  0.00000000  1.0
  Cu  Cu8  1  0.38991500  0.38991500  0.00000000  1.0
  Cu  Cu9  1  0.61008500  0.61008500  0.00000000  1.0
  Cu  Cu10  1  0.46245900  0.46245900  0.00000000  1.0
  O  O11  1  0.88903100  0.38903100  0.50000000  1.0
  O  O12  1  0.03716900  0.53716900  0.50000000  1.0
  O  O13  1  0.22828500  0.22828500  0.00000000  1.0
  O  O14  1  0.46283100  0.96283100  0.50000000  1.0
  O  O15  1  0.77171500  0.77171500  0.00000000  1.0
  O  O16  1  0.61096900  0.11096900  0.50000000  1.0
  O  O17  1  0.11096900  0.61096900  0.50000000  1.0
  O  O18  1  0.32349700  0.32349700  0.00000000  1.0
  O  O19  1  0.38903100  0.88903100  0.50000000  1.0
  O  O20  1  0.53716900  0.03716900  0.50000000  1.0
  O  O21  1  0.96283100  0.46283100  0.50000000  1.0
  O  O22  1  0.67650300  0.67650300  0.00000000  1.0