# generated using pymatgen
data_Ba2YMgNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91560463
_cell_length_b   3.91340465
_cell_length_c   14.82332461
_cell_angle_alpha   90.00001256
_cell_angle_beta   90.00003099
_cell_angle_gamma   90.00001419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YMgNi3O8
_chemical_formula_sum   'Ba2 Y1 Mg1 Ni3 O8'
_cell_volume   227.14292248
_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  0.50000000  0.25233232  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.74782374  1.0
  Y  Y2  1  0.50000000  0.50000000  0.49999134  1.0
  Mg  Mg3  1  0.50000000  0.50000000  0.00028675  1.0
  Ni  Ni4  1  0.00000100  0.00000100  0.37392467  1.0
  Ni  Ni5  1  0.99999900  1.00000000  0.99958818  1.0
  Ni  Ni6  1  1.00000000  0.99999800  0.62606194  1.0
  O  O7  1  1.00000000  0.50000000  0.40322279  1.0
  O  O8  1  0.50000000  1.00000000  0.40325842  1.0
  O  O9  1  0.49999900  0.00000000  0.99985914  1.0
  O  O10  1  1.00000000  1.00000000  0.23905641  1.0
  O  O11  1  0.00000000  0.49999900  0.59683285  1.0
  O  O12  1  0.50000000  0.00000000  0.59683346  1.0
  O  O13  1  0.99999900  0.00000000  0.76100168  1.0
  O  O14  1  0.00000000  0.50000000  0.99992631  1.0