# generated using pymatgen
data_Ba3ZrNb5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98686500
_cell_length_b   5.98686500
_cell_length_c   16.67414800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3ZrNb5O12
_chemical_formula_sum   'Ba6 Zr2 Nb10 O24'
_cell_volume   597.64402555
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.50000000  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.75428600  1.0
  Ba  Ba3  1  0.50000000  0.50000000  0.75428600  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.24571400  1.0
  Ba  Ba5  1  0.50000000  0.50000000  0.24571400  1.0
  Zr  Zr6  1  0.00000000  0.50000000  0.62644600  1.0
  Zr  Zr7  1  0.50000000  0.00000000  0.37355400  1.0
  Nb  Nb8  1  0.50000000  0.00000000  0.87874400  1.0
  Nb  Nb9  1  0.00000000  0.50000000  0.87902200  1.0
  Nb  Nb10  1  0.50000000  0.00000000  0.12097800  1.0
  Nb  Nb11  1  0.00000000  0.50000000  0.12125600  1.0
  Nb  Nb12  1  0.25000000  0.75000000  0.00000000  1.0
  Nb  Nb13  1  0.75000000  0.25000000  0.00000000  1.0
  Nb  Nb14  1  0.25000000  0.25000000  0.00000000  1.0
  Nb  Nb15  1  0.75000000  0.75000000  0.00000000  1.0
  Nb  Nb16  1  0.50000000  0.00000000  0.62679300  1.0
  Nb  Nb17  1  0.00000000  0.50000000  0.37320700  1.0
  O  O18  1  0.25005200  0.75005200  0.87169700  1.0
  O  O19  1  0.74994800  0.24994800  0.87169700  1.0
  O  O20  1  0.25005200  0.24994800  0.87169700  1.0
  O  O21  1  0.74994800  0.75005200  0.87169700  1.0
  O  O22  1  0.24994800  0.74994800  0.12830300  1.0
  O  O23  1  0.75005200  0.25005200  0.12830300  1.0
  O  O24  1  0.24994800  0.25005200  0.12830300  1.0
  O  O25  1  0.75005200  0.74994800  0.12830300  1.0
  O  O26  1  0.50000000  0.00000000  0.74606900  1.0
  O  O27  1  0.00000000  0.50000000  0.74944100  1.0
  O  O28  1  0.50000000  0.00000000  0.25055900  1.0
  O  O29  1  0.00000000  0.50000000  0.25393100  1.0
  O  O30  1  0.50000000  0.00000000  0.50331200  1.0
  O  O31  1  0.00000000  0.50000000  0.49668800  1.0
  O  O32  1  0.25492900  0.75492900  0.62376900  1.0
  O  O33  1  0.74507100  0.24507100  0.62376900  1.0
  O  O34  1  0.25492900  0.24507100  0.62376900  1.0
  O  O35  1  0.74507100  0.75492900  0.62376900  1.0
  O  O36  1  0.24507100  0.74507100  0.37623100  1.0
  O  O37  1  0.75492900  0.25492900  0.37623100  1.0
  O  O38  1  0.24507100  0.25492900  0.37623100  1.0
  O  O39  1  0.75492900  0.74507100  0.37623100  1.0
  O  O40  1  0.00000000  0.00000000  0.00000000  1.0
  O  O41  1  0.50000000  0.50000000  0.00000000  1.0