# generated using pymatgen
data_Ba2YMgNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91847300
_cell_length_b   3.91760600
_cell_length_c   13.92820700
_cell_angle_alpha   90.00000823
_cell_angle_beta   90.00002285
_cell_angle_gamma   90.00001462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YMgNi3O8
_chemical_formula_sum   'Ba2 Y1 Mg1 Ni3 O8'
_cell_volume   213.81236996
_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  0.11507000  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.83372600  1.0
  Y  Y2  1  0.50000000  0.50000000  0.55147800  1.0
  Mg  Mg3  1  0.50000000  0.50000000  0.34505000  1.0
  Ni  Ni4  1  0.00000100  0.00000100  0.34996200  1.0
  Ni  Ni5  1  0.99999900  0.00000000  0.95885300  1.0
  Ni  Ni6  1  0.00000000  0.99999800  0.67077300  1.0
  O  O7  1  0.00000000  0.50000000  0.39165000  1.0
  O  O8  1  0.50000000  0.00000000  0.39167200  1.0
  O  O9  1  0.49999900  0.00000000  0.98256700  1.0
  O  O10  1  0.00000000  0.00000000  0.20715200  1.0
  O  O11  1  0.00000000  0.49999900  0.62562500  1.0
  O  O12  1  0.50000000  0.00000000  0.62568700  1.0
  O  O13  1  0.99999900  0.00000000  0.81262300  1.0
  O  O14  1  0.00000000  0.50000000  0.98255500  1.0