# generated using pymatgen
data_BaTlCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.06361062
_cell_length_b   16.06361062
_cell_length_c   16.06361062
_cell_angle_alpha   166.65848160
_cell_angle_beta   166.65848160
_cell_angle_gamma   18.91088020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlCuO4
_chemical_formula_sum   'Ba2 Tl2 Cu2 O8'
_cell_volume   220.69405688
_cell_formula_units_Z   2
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  0.11684400  0.11684400  0.00000000  1.0
  Ba  Ba1  1  0.88315600  0.88315600  0.00000000  1.0
  Tl  Tl2  1  0.28800300  0.28800300  0.00000000  1.0
  Tl  Tl3  1  0.71199700  0.71199700  0.00000000  1.0
  Cu  Cu4  1  0.54363900  0.54363900  0.00000000  1.0
  Cu  Cu5  1  0.45636100  0.45636100  0.00000000  1.0
  O  O6  1  0.77856300  0.77856300  0.00000000  1.0
  O  O7  1  0.44417500  0.94417500  0.50000000  1.0
  O  O8  1  0.05582500  0.55582500  0.50000000  1.0
  O  O9  1  0.64822200  0.64822200  0.00000000  1.0
  O  O10  1  0.55582500  0.05582500  0.50000000  1.0
  O  O11  1  0.94417500  0.44417500  0.50000000  1.0
  O  O12  1  0.35177800  0.35177800  0.00000000  1.0
  O  O13  1  0.22143700  0.22143700  0.00000000  1.0