# generated using pymatgen
data_BaSr(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56841233
_cell_length_b   5.56841233
_cell_length_c   7.86998661
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr(NiO3)4
_chemical_formula_sum   'Ba1 Sr1 Ni4 O12'
_cell_volume   244.02637376
_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  -0.00000000  1.0
  Sr  Sr1  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.74951348  1.0
  Ni  Ni3  1  0.00000000  0.50000000  0.25048652  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.74951348  1.0
  Ni  Ni5  1  0.50000000  0.00000000  0.25048652  1.0
  O  O6  1  0.24756700  0.24756700  0.74743169  1.0
  O  O7  1  0.24756700  0.24756700  0.25256831  1.0
  O  O8  1  0.75243300  0.75243300  0.74743169  1.0
  O  O9  1  0.75243300  0.75243300  0.25256831  1.0
  O  O10  1  0.75243300  0.24756700  0.74743169  1.0
  O  O11  1  0.75243300  0.24756700  0.25256831  1.0
  O  O12  1  0.24756700  0.75243300  0.25256831  1.0
  O  O13  1  0.24756700  0.75243300  0.74743169  1.0
  O  O14  1  0.00000000  0.50000000  0.50000000  1.0
  O  O15  1  0.00000000  0.50000000  -0.00000000  1.0
  O  O16  1  0.50000000  0.00000000  0.50000000  1.0
  O  O17  1  0.50000000  0.00000000  -0.00000000  1.0