# generated using pymatgen
data_Ba2Mg3Tl2(CuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79791709
_cell_length_b   3.79791705
_cell_length_c   21.00229190
_cell_angle_alpha   95.18757494
_cell_angle_beta   95.18757331
_cell_angle_gamma   90.00000179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Mg3Tl2(CuO3)4
_chemical_formula_sum   'Ba2 Mg3 Tl2 Cu4 O12'
_cell_volume   300.45391886
_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  0.15325500  0.15325500  0.30650900  1.0
  Ba  Ba1  1  0.84674500  0.84674500  0.69349100  1.0
  Mg  Mg2  1  0.07256900  0.07256900  0.14513700  1.0
  Mg  Mg3  1  0.92743100  0.92743100  0.85486300  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl5  1  0.72181600  0.72181600  0.44363100  1.0
  Tl  Tl6  1  0.27818400  0.27818400  0.55636900  1.0
  Cu  Cu7  1  0.53584300  0.53584300  0.07168600  1.0
  Cu  Cu8  1  0.39673200  0.39673200  0.79346400  1.0
  Cu  Cu9  1  0.60326800  0.60326800  0.20653600  1.0
  Cu  Cu10  1  0.46415700  0.46415700  0.92831400  1.0
  O  O11  1  0.39760200  0.89760200  0.79520400  1.0
  O  O12  1  0.53391000  0.03391000  0.06782100  1.0
  O  O13  1  0.22702500  0.22702500  0.45404900  1.0
  O  O14  1  0.96609000  0.46609000  0.93217900  1.0
  O  O15  1  0.77297500  0.77297500  0.54595100  1.0
  O  O16  1  0.10239800  0.60239800  0.20479600  1.0
  O  O17  1  0.60239800  0.10239800  0.20479600  1.0
  O  O18  1  0.32787000  0.32787000  0.65574000  1.0
  O  O19  1  0.89760200  0.39760200  0.79520400  1.0
  O  O20  1  0.03391000  0.53391000  0.06782100  1.0
  O  O21  1  0.46609000  0.96609000  0.93217900  1.0
  O  O22  1  0.67213000  0.67213000  0.34426000  1.0