# generated using pymatgen
data_Ba2Tl2Zn3(CuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.94634594
_cell_length_b   20.94634594
_cell_length_c   20.94634594
_cell_angle_alpha   169.52490606
_cell_angle_beta   169.52490606
_cell_angle_gamma   14.83479928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Tl2Zn3(CuO3)4
_chemical_formula_sum   'Ba2 Tl2 Zn3 Cu4 O12'
_cell_volume   303.76372692
_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  0.15376700  0.15376700  0.00000000  1.0
  Ba  Ba1  1  0.84623300  0.84623300  0.00000000  1.0
  Tl  Tl2  1  0.72250200  0.72250200  0.00000000  1.0
  Tl  Tl3  1  0.27749800  0.27749800  0.00000000  1.0
  Zn  Zn4  1  0.07313000  0.07313000  0.00000000  1.0
  Zn  Zn5  1  0.92687000  0.92687000  0.00000000  1.0
  Zn  Zn6  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu7  1  0.53623200  0.53623200  0.00000000  1.0
  Cu  Cu8  1  0.39612100  0.39612100  0.00000000  1.0
  Cu  Cu9  1  0.60387900  0.60387900  0.00000000  1.0
  Cu  Cu10  1  0.46376800  0.46376800  0.00000000  1.0
  O  O11  1  0.89587700  0.39587700  0.50000000  1.0
  O  O12  1  0.03476100  0.53476100  0.50000000  1.0
  O  O13  1  0.22648300  0.22648300  0.00000000  1.0
  O  O14  1  0.46523900  0.96523900  0.50000000  1.0
  O  O15  1  0.77351700  0.77351700  0.00000000  1.0
  O  O16  1  0.60412300  0.10412300  0.50000000  1.0
  O  O17  1  0.10412300  0.60412300  0.50000000  1.0
  O  O18  1  0.32732600  0.32732600  0.00000000  1.0
  O  O19  1  0.39587700  0.89587700  0.50000000  1.0
  O  O20  1  0.53476100  0.03476100  0.50000000  1.0
  O  O21  1  0.96523900  0.46523900  0.50000000  1.0
  O  O22  1  0.67267400  0.67267400  0.00000000  1.0