# generated using pymatgen
data_BaLu2NiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65254800
_cell_length_b   6.97120200
_cell_length_c   12.17122300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLu2NiO5
_chemical_formula_sum   'Ba4 Lu8 Ni4 O20'
_cell_volume   479.60769862
_cell_formula_units_Z   4
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  0.25000000  0.57837400  0.40268600  1.0
  Ba  Ba1  1  0.25000000  0.92162600  0.90268600  1.0
  Ba  Ba2  1  0.75000000  0.42162600  0.59731400  1.0
  Ba  Ba3  1  0.75000000  0.07837400  0.09731400  1.0
  Lu  Lu4  1  0.25000000  0.37742700  0.79166100  1.0
  Lu  Lu5  1  0.25000000  0.12257300  0.29166100  1.0
  Lu  Lu6  1  0.75000000  0.62257300  0.20833900  1.0
  Lu  Lu7  1  0.75000000  0.87742700  0.70833900  1.0
  Lu  Lu8  1  0.25000000  0.10000300  0.57376200  1.0
  Lu  Lu9  1  0.25000000  0.39999700  0.07376200  1.0
  Lu  Lu10  1  0.75000000  0.89999700  0.42623800  1.0
  Lu  Lu11  1  0.75000000  0.60000300  0.92623800  1.0
  Ni  Ni12  1  0.25000000  0.80501400  0.15608400  1.0
  Ni  Ni13  1  0.25000000  0.69498600  0.65608400  1.0
  Ni  Ni14  1  0.75000000  0.19498600  0.84391600  1.0
  Ni  Ni15  1  0.75000000  0.30501400  0.34391600  1.0
  O  O16  1  0.99863200  0.33419300  0.93464200  1.0
  O  O17  1  0.50136800  0.16580700  0.43464200  1.0
  O  O18  1  0.49863200  0.66580700  0.06535800  1.0
  O  O19  1  0.00136800  0.83419300  0.56535800  1.0
  O  O20  1  0.00136800  0.66580700  0.06535800  1.0
  O  O21  1  0.49863200  0.83419300  0.56535800  1.0
  O  O22  1  0.50136800  0.33419300  0.93464200  1.0
  O  O23  1  0.99863200  0.16580700  0.43464200  1.0
  O  O24  1  0.49882300  0.13440600  0.72495300  1.0
  O  O25  1  0.00117700  0.36559400  0.22495300  1.0
  O  O26  1  0.99882300  0.86559400  0.27504700  1.0
  O  O27  1  0.50117700  0.63440600  0.77504700  1.0
  O  O28  1  0.50117700  0.86559400  0.27504700  1.0
  O  O29  1  0.99882300  0.63440600  0.77504700  1.0
  O  O30  1  0.00117700  0.13440600  0.72495300  1.0
  O  O31  1  0.49882300  0.36559400  0.22495300  1.0
  O  O32  1  0.25000000  0.42060100  0.60455900  1.0
  O  O33  1  0.25000000  0.07939900  0.10455900  1.0
  O  O34  1  0.75000000  0.57939900  0.39544100  1.0
  O  O35  1  0.75000000  0.92060100  0.89544100  1.0