# generated using pymatgen
data_KNd(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44814250
_cell_length_b   5.44814250
_cell_length_c   7.73655347
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96593368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNd(NiO3)4
_chemical_formula_sum   'K1 Nd1 Ni4 O12'
_cell_volume   229.63832532
_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
  K  K0  1  0.00649022  0.00649022  0.00000000  1.0
  Nd  Nd1  1  0.49304834  0.49304834  0.50000000  1.0
  Ni  Ni2  1  0.50078424  0.99782631  0.75330975  1.0
  Ni  Ni3  1  0.50078424  0.99782631  0.24669025  1.0
  Ni  Ni4  1  0.99782631  0.50078424  0.24669025  1.0
  Ni  Ni5  1  0.99782631  0.50078424  0.75330975  1.0
  O  O6  1  0.73608323  0.26341699  0.73047469  1.0
  O  O7  1  0.26341699  0.73608323  0.73047469  1.0
  O  O8  1  0.26341699  0.73608323  0.26952531  1.0
  O  O9  1  0.73608323  0.26341699  0.26952531  1.0
  O  O10  1  0.73101474  0.73101474  0.72385816  1.0
  O  O11  1  0.26496864  0.26496864  0.74237278  1.0
  O  O12  1  0.26496864  0.26496864  0.25762722  1.0
  O  O13  1  0.73101474  0.73101474  0.27614184  1.0
  O  O14  1  0.51389725  0.99263845  0.00000000  1.0
  O  O15  1  0.49111245  0.01632497  0.50000000  1.0
  O  O16  1  0.99263845  0.51389725  0.00000000  1.0
  O  O17  1  0.01632497  0.49111245  0.50000000  1.0