# generated using pymatgen
data_Ba2YMgTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76335858
_cell_length_b   4.02049401
_cell_length_c   15.05779559
_cell_angle_alpha   89.99903570
_cell_angle_beta   89.99717386
_cell_angle_gamma   89.98913387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YMgTlCu2O7
_chemical_formula_sum   'Ba2 Y1 Mg1 Tl1 Cu2 O7'
_cell_volume   227.83288485
_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  0.50004477  0.50000073  0.22831866  1.0
  Ba  Ba1  1  0.50007165  0.50001860  0.89589458  1.0
  Y  Y2  1  0.49995590  0.49999031  0.47862355  1.0
  Mg  Mg3  1  0.49997182  0.00002982  0.71450394  1.0
  Tl  Tl4  1  0.00005110  0.00001424  0.05112818  1.0
  Cu  Cu5  1  0.00003753  0.99999524  0.37023507  1.0
  Cu  Cu6  1  -0.00007950  0.99998185  0.57657276  1.0
  O  O7  1  0.00004525  0.00000080  0.19717354  1.0
  O  O8  1  0.00001743  0.49999565  0.37678366  1.0
  O  O9  1  0.50003088  0.99999608  0.39508657  1.0
  O  O10  1  0.49989795  0.99998499  0.58545748  1.0
  O  O11  1  0.50003770  0.49998769  0.04906209  1.0
  O  O12  1  -0.00007009  0.49998362  0.56832886  1.0
  O  O13  1  -0.00001541  0.00002139  0.77845704  1.0