# generated using pymatgen
data_Ba2CaTl2(CuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68765055
_cell_length_b   3.68765056
_cell_length_c   22.91084796
_cell_angle_alpha   94.61604775
_cell_angle_beta   94.61604938
_cell_angle_gamma   90.00000279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaTl2(CuO3)4
_chemical_formula_sum   'Ba2 Ca1 Tl2 Cu4 O12'
_cell_volume   309.53481210
_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  0.15644800  0.15644800  0.31289500  1.0
  Ba  Ba1  1  0.84355200  0.84355200  0.68710500  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl3  1  0.72339800  0.72339800  0.44679400  1.0
  Tl  Tl4  1  0.27660200  0.27660200  0.55320600  1.0
  Cu  Cu5  1  0.54288000  0.54288000  0.08576000  1.0
  Cu  Cu6  1  0.39557600  0.39557600  0.79115200  1.0
  Cu  Cu7  1  0.60442400  0.60442400  0.20884800  1.0
  Cu  Cu8  1  0.45712000  0.45712000  0.91424000  1.0
  O  O9  1  0.38653600  0.88653600  0.77307300  1.0
  O  O10  1  0.53373800  0.03373800  0.06747700  1.0
  O  O11  1  0.23010900  0.23010900  0.46021700  1.0
  O  O12  1  0.96626200  0.46626200  0.93252300  1.0
  O  O13  1  0.76989100  0.76989100  0.53978300  1.0
  O  O14  1  0.11346400  0.61346400  0.22692700  1.0
  O  O15  1  0.61346400  0.11346400  0.22692700  1.0
  O  O16  1  0.32120200  0.32120200  0.64240300  1.0
  O  O17  1  0.88653600  0.38653600  0.77307300  1.0
  O  O18  1  0.03373800  0.53373800  0.06747700  1.0
  O  O19  1  0.46626200  0.96626200  0.93252300  1.0
  O  O20  1  0.67879800  0.67879800  0.35759700  1.0