# generated using pymatgen
data_Ba2Ca2Ti3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92836200
_cell_length_b   3.93133752
_cell_length_c   19.86114427
_cell_angle_alpha   94.63053244
_cell_angle_beta   95.28547775
_cell_angle_gamma   90.02952717
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca2Ti3Tl2O10
_chemical_formula_sum   'Ba2 Ca2 Ti3 Tl2 O10'
_cell_volume   304.41901751
_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  0.22223000  0.12808800  0.31877000  1.0
  Ba  Ba1  1  0.92334900  0.86378800  0.67983900  1.0
  Ca  Ca2  1  0.02700200  0.96341000  0.90744900  1.0
  Ca  Ca3  1  0.11118000  0.03025300  0.09163700  1.0
  Ti  Ti4  1  0.48760300  0.42741100  0.81595100  1.0
  Ti  Ti5  1  0.65633100  0.56653500  0.18314400  1.0
  Ti  Ti6  1  0.56837200  0.49631800  0.99951200  1.0
  Tl  Tl7  1  0.74025600  0.72192900  0.44207400  1.0
  Tl  Tl8  1  0.29730400  0.28329700  0.55699800  1.0
  O  O9  1  0.49486900  0.93660300  0.83784300  1.0
  O  O10  1  0.45031100  0.39232400  0.72534100  1.0
  O  O11  1  0.99503600  0.43652900  0.83768100  1.0
  O  O12  1  0.71649500  0.76098900  0.55979300  1.0
  O  O13  1  0.06812800  0.49618800  0.99941000  1.0
  O  O14  1  0.14344800  0.55746600  0.16082700  1.0
  O  O15  1  0.70189900  0.60065300  0.27355500  1.0
  O  O16  1  0.64350400  0.05782100  0.16160400  1.0
  O  O17  1  0.17451400  0.25700900  0.43972500  1.0
  O  O18  1  0.56804200  0.99638900  0.99981000  1.0