# generated using pymatgen
data_KSm(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41913264
_cell_length_b   5.41913264
_cell_length_c   7.63481039
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.39742214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSm(NiO3)4
_chemical_formula_sum   'K1 Sm1 Ni4 O12'
_cell_volume   224.19906643
_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  0.00960160  0.00960160  -0.00000000  1.0
  Sm  Sm1  1  0.48750376  0.48750376  0.50000000  1.0
  Ni  Ni2  1  0.50177409  0.99693115  0.75327928  1.0
  Ni  Ni3  1  0.50177409  0.99693115  0.24672072  1.0
  Ni  Ni4  1  0.99693115  0.50177409  0.24672072  1.0
  Ni  Ni5  1  0.99693115  0.50177409  0.75327928  1.0
  O  O6  1  0.73807116  0.26077118  0.72844154  1.0
  O  O7  1  0.26077118  0.73807116  0.72844154  1.0
  O  O8  1  0.26077118  0.73807116  0.27155846  1.0
  O  O9  1  0.73807116  0.26077118  0.27155846  1.0
  O  O10  1  0.72419132  0.72419132  0.71531069  1.0
  O  O11  1  0.27263219  0.27263219  0.74537414  1.0
  O  O12  1  0.27263219  0.27263219  0.25462586  1.0
  O  O13  1  0.72419132  0.72419132  0.28468931  1.0
  O  O14  1  0.51745599  0.98621309  -0.00000000  1.0
  O  O15  1  0.48560915  0.02697423  0.50000000  1.0
  O  O16  1  0.98621309  0.51745599  -0.00000000  1.0
  O  O17  1  0.02697423  0.48560915  0.50000000  1.0