# generated using pymatgen
data_Sr2Cu2NiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.07902448
_cell_length_b   13.07902448
_cell_length_c   13.07902448
_cell_angle_alpha   157.38031136
_cell_angle_beta   157.08732052
_cell_angle_gamma   32.41609454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Cu2NiO7
_chemical_formula_sum   'Sr4 Cu4 Ni2 O14'
_cell_volume   334.74021680
_cell_formula_units_Z   2
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  0.14634000  0.62862100  0.47268000  1.0
  Sr  Sr1  1  0.85366000  0.32634000  0.48228200  1.0
  Sr  Sr2  1  0.65594100  0.12862100  0.48228200  1.0
  Sr  Sr3  1  0.34405900  0.82634000  0.47268000  1.0
  Cu  Cu4  1  0.06033700  0.03839100  0.97912400  1.0
  Cu  Cu5  1  0.93966300  0.91878700  0.97805400  1.0
  Cu  Cu6  1  0.55926700  0.53839100  0.97805400  1.0
  Cu  Cu7  1  0.44073300  0.41878700  0.97912400  1.0
  Ni  Ni8  1  0.67735000  0.78162300  0.95897300  1.0
  Ni  Ni9  1  0.32265000  0.28162300  0.10427300  1.0
  O  O10  1  0.33661600  0.64760000  0.48421600  1.0
  O  O11  1  0.66338400  0.14760000  0.31098400  1.0
  O  O12  1  0.82564700  0.30445000  0.97866100  1.0
  O  O13  1  0.17435300  0.15301400  0.47880400  1.0
  O  O14  1  0.82578900  0.80445000  0.47880400  1.0
  O  O15  1  0.17421100  0.65301400  0.97866100  1.0
  O  O16  1  0.32533800  0.80494100  0.97686600  1.0
  O  O17  1  0.67466200  0.65152800  0.47960300  1.0
  O  O18  1  0.32807500  0.30494100  0.47960300  1.0
  O  O19  1  0.67192500  0.15152800  0.97686600  1.0
  O  O20  1  0.69842900  0.64910000  0.98520400  1.0
  O  O21  1  0.30157100  0.28677600  0.95067200  1.0
  O  O22  1  0.16389600  0.14910000  0.95067200  1.0
  O  O23  1  0.83610400  0.78677600  0.98520400  1.0