# generated using pymatgen
data_Ba2YNi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89441705
_cell_length_b   3.99856504
_cell_length_c   11.50324500
_cell_angle_alpha   89.99984249
_cell_angle_beta   89.99945650
_cell_angle_gamma   90.01720759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YNi3O7
_chemical_formula_sum   'Ba2 Y1 Ni3 O7'
_cell_volume   179.12944174
_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  0.49999500  0.50000300  0.81648200  1.0
  Ba  Ba1  1  0.50000500  0.50000300  0.18333900  1.0
  Y  Y2  1  0.50000100  0.49999500  0.49996100  1.0
  Ni  Ni3  1  0.00000100  0.99999300  0.65782800  1.0
  Ni  Ni4  1  0.00000100  0.00000000  0.34220800  1.0
  Ni  Ni5  1  0.00000000  0.00000400  0.99999800  1.0
  O  O6  1  0.00000000  0.50000600  0.00001200  1.0
  O  O7  1  0.50000100  0.99999100  0.62404300  1.0
  O  O8  1  0.50000000  0.00000000  0.37611800  1.0
  O  O9  1  0.00000000  0.49999300  0.62381200  1.0
  O  O10  1  0.00000100  0.49999900  0.37625100  1.0
  O  O11  1  0.99998800  0.00001000  0.83743700  1.0
  O  O12  1  0.00000700  0.00000300  0.16251100  1.0