# generated using pymatgen
data_Sr2CaTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78195800
_cell_length_b   3.78195800
_cell_length_c   12.29058500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaTlCu2O7
_chemical_formula_sum   'Sr2 Ca1 Tl1 Cu2 O7'
_cell_volume   175.79477297
_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  0.20906500  1.0
  Sr  Sr1  1  0.50000000  0.50000000  0.79093500  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.50000000  1.0
  Tl  Tl3  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.35682300  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.64317700  1.0
  O  O6  1  0.50000000  0.00000000  0.62813600  1.0
  O  O7  1  0.00000000  0.50000000  0.62813600  1.0
  O  O8  1  0.50000000  0.00000000  0.37186400  1.0
  O  O9  1  0.00000000  0.50000000  0.37186400  1.0
  O  O10  1  0.00000000  0.00000000  0.82790300  1.0
  O  O11  1  0.00000000  0.00000000  0.17209700  1.0
  O  O12  1  0.50000000  0.50000000  0.00000000  1.0