# generated using pymatgen
data_Ba2CaTl2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.57564464
_cell_length_b   15.57564464
_cell_length_c   15.57564464
_cell_angle_alpha   165.42975138
_cell_angle_beta   165.42975138
_cell_angle_gamma   20.66174013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaTl2(CuO4)2
_chemical_formula_sum   'Ba2 Ca1 Tl2 Cu2 O8'
_cell_volume   239.10400286
_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  0.11526400  0.11526400  0.00000000  1.0
  Ba  Ba1  1  0.88473600  0.88473600  0.00000000  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl3  1  0.71297400  0.71297400  0.00000000  1.0
  Tl  Tl4  1  0.28702600  0.28702600  0.00000000  1.0
  Cu  Cu5  1  0.55026100  0.55026100  0.00000000  1.0
  Cu  Cu6  1  0.44973900  0.44973900  0.00000000  1.0
  O  O7  1  0.05150200  0.55150200  0.50000000  1.0
  O  O8  1  0.35592100  0.35592100  0.00000000  1.0
  O  O9  1  0.55150200  0.05150200  0.50000000  1.0
  O  O10  1  0.75000000  0.25000000  0.50000000  1.0
  O  O11  1  0.94849800  0.44849800  0.50000000  1.0
  O  O12  1  0.25000000  0.75000000  0.50000000  1.0
  O  O13  1  0.44849800  0.94849800  0.50000000  1.0
  O  O14  1  0.64407900  0.64407900  0.00000000  1.0