# generated using pymatgen
data_BaSrNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88819500
_cell_length_b   3.91798300
_cell_length_c   12.62761159
_cell_angle_alpha   89.81817029
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrNdTlCu2O7
_chemical_formula_sum   'Ba1 Sr1 Nd1 Tl1 Cu2 O7'
_cell_volume   192.36657505
_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  0.50000000  0.48424500  0.79774700  1.0
  Sr  Sr1  1  0.50000000  0.48337000  0.20745100  1.0
  Nd  Nd2  1  0.50000000  0.49659200  0.49537800  1.0
  Tl  Tl3  1  0.00000000  0.91381700  0.00799500  1.0
  Cu  Cu4  1  0.00000000  0.99455900  0.63170800  1.0
  Cu  Cu5  1  0.00000000  0.99572200  0.35442200  1.0
  O  O6  1  0.50000000  0.99479000  0.61705400  1.0
  O  O7  1  0.00000000  0.49468100  0.61781500  1.0
  O  O8  1  0.50000000  0.99639900  0.37278600  1.0
  O  O9  1  0.00000000  0.49519900  0.37144600  1.0
  O  O10  1  0.00000000  0.99404300  0.83910400  1.0
  O  O11  1  0.00000000  0.00568700  0.17514200  1.0
  O  O12  1  0.50000000  0.56989600  0.01195300  1.0