# generated using pymatgen
data_BaSrCa2Tl(CuO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82763400
_cell_length_b   3.84502379
_cell_length_c   15.79112996
_cell_angle_alpha   90.13949470
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrCa2Tl(CuO3)3
_chemical_formula_sum   'Ba1 Sr1 Ca2 Tl1 Cu3 O9'
_cell_volume   232.40279944
_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  0.50000000  0.51268000  0.83629100  1.0
  Sr  Sr1  1  0.50000000  0.51210500  0.16880900  1.0
  Ca  Ca2  1  0.50000000  0.50188500  0.60344700  1.0
  Ca  Ca3  1  0.50000000  0.50170200  0.39190000  1.0
  Tl  Tl4  1  0.00000000  0.07910900  0.00624400  1.0
  Cu  Cu5  1  0.00000000  0.00473200  0.70584300  1.0
  Cu  Cu6  1  0.00000000  0.00462100  0.28408100  1.0
  Cu  Cu7  1  0.00000000  0.00049500  0.49882400  1.0
  O  O8  1  0.00000000  0.00724400  0.87308900  1.0
  O  O9  1  0.00000000  0.00066600  0.14064000  1.0
  O  O10  1  0.00000000  0.50437000  0.69640400  1.0
  O  O11  1  0.50000000  0.00414400  0.69575300  1.0
  O  O12  1  0.00000000  0.50431600  0.29652400  1.0
  O  O13  1  0.50000000  0.00295100  0.29740000  1.0
  O  O14  1  0.50000000  0.44207600  0.01037300  1.0
  O  O15  1  0.00000000  0.50038400  0.49717400  1.0
  O  O16  1  0.50000000  0.00052100  0.49720400  1.0