# generated using pymatgen
data_Ba2Ca3Tl2(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85159125
_cell_length_b   3.85159113
_cell_length_c   22.01793144
_cell_angle_alpha   95.01777719
_cell_angle_beta   95.01777915
_cell_angle_gamma   89.99999785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca3Tl2(CoO3)4
_chemical_formula_sum   'Ba2 Ca3 Tl2 Co4 O12'
_cell_volume   324.12222329
_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  0.15896100  0.15896100  0.31792000  1.0
  Ba  Ba1  1  0.84103900  0.84103900  0.68208000  1.0
  Ca  Ca2  1  0.07518200  0.07518200  0.15036300  1.0
  Ca  Ca3  1  0.92481800  0.92481800  0.84963700  1.0
  Ca  Ca4  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl5  1  0.72354600  0.72354600  0.44709100  1.0
  Tl  Tl6  1  0.27645400  0.27645400  0.55290900  1.0
  Co  Co7  1  0.53739600  0.53739600  0.07479200  1.0
  Co  Co8  1  0.39040100  0.39040100  0.78080200  1.0
  Co  Co9  1  0.60959900  0.60959900  0.21919800  1.0
  Co  Co10  1  0.46260400  0.46260400  0.92520800  1.0
  O  O11  1  0.39028400  0.89028400  0.78056800  1.0
  O  O12  1  0.53697300  0.03697300  0.07394700  1.0
  O  O13  1  0.22755000  0.22755000  0.45510000  1.0
  O  O14  1  0.96302700  0.46302700  0.92605300  1.0
  O  O15  1  0.77245000  0.77245000  0.54490000  1.0
  O  O16  1  0.10971600  0.60971600  0.21943200  1.0
  O  O17  1  0.60971600  0.10971600  0.21943200  1.0
  O  O18  1  0.32450200  0.32450200  0.64900500  1.0
  O  O19  1  0.89028400  0.39028400  0.78056800  1.0
  O  O20  1  0.03697300  0.53697300  0.07394700  1.0
  O  O21  1  0.46302700  0.96302700  0.92605300  1.0
  O  O22  1  0.67549800  0.67549800  0.35099500  1.0