# generated using pymatgen
data_Sr2YMgTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83218363
_cell_length_b   3.73851054
_cell_length_c   14.49651686
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YMgTlCu2O7
_chemical_formula_sum   'Sr2 Y1 Mg1 Tl1 Cu2 O7'
_cell_volume   207.68665217
_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
  Sr  Sr0  1  0.50000000  0.50000000  0.74319690  1.0
  Sr  Sr1  1  0.50000000  0.50000000  0.25903176  1.0
  Y  Y2  1  0.50000000  0.50000000  0.50048422  1.0
  Mg  Mg3  1  0.00000000  0.50000000  0.10586272  1.0
  Tl  Tl4  1  0.00000000  0.00000000  0.94723736  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.62056928  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.37926551  1.0
  O  O7  1  0.50000000  0.00000000  0.60514168  1.0
  O  O8  1  0.00000000  0.50000000  0.59971756  1.0
  O  O9  1  0.50000000  0.00000000  0.39831846  1.0
  O  O10  1  0.00000000  0.50000000  0.39854494  1.0
  O  O11  1  0.00000000  0.00000000  0.78389217  1.0
  O  O12  1  0.00000000  0.00000000  0.20481846  1.0
  O  O13  1  0.50000000  0.50000000  0.06850197  1.0