# generated using pymatgen
data_KLa(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47873554
_cell_length_b   5.47873554
_cell_length_c   7.72151582
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.42821963
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa(NiO3)4
_chemical_formula_sum   'K1 La1 Ni4 O12'
_cell_volume   231.76673899
_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  0.99892498  0.99892498  -0.00000000  1.0
  La  La1  1  0.50399478  0.50399478  0.50000000  1.0
  Ni  Ni2  1  0.49963440  0.00083079  0.75358762  1.0
  Ni  Ni3  1  0.49963440  0.00083079  0.24641238  1.0
  Ni  Ni4  1  0.00083079  0.49963440  0.24641238  1.0
  Ni  Ni5  1  0.00083079  0.49963440  0.75358762  1.0
  O  O6  1  0.72983587  0.26985171  0.73631846  1.0
  O  O7  1  0.26985171  0.72983587  0.73631846  1.0
  O  O8  1  0.26985171  0.72983587  0.26368154  1.0
  O  O9  1  0.72983587  0.26985171  0.26368154  1.0
  O  O10  1  0.74122163  0.74122163  0.74157573  1.0
  O  O11  1  0.25884115  0.25884115  0.72827627  1.0
  O  O12  1  0.25884115  0.25884115  0.27172373  1.0
  O  O13  1  0.74122163  0.74122163  0.25842427  1.0
  O  O14  1  0.49620749  0.00590892  -0.00000000  1.0
  O  O15  1  0.50636294  0.98786978  0.50000000  1.0
  O  O16  1  0.00590892  0.49620749  0.00000000  1.0
  O  O17  1  0.98786978  0.50636294  0.50000000  1.0