# generated using pymatgen
data_Sr3ScNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71227798
_cell_length_b   6.71227794
_cell_length_c   6.71227807
_cell_angle_alpha   93.23494144
_cell_angle_beta   93.23494372
_cell_angle_gamma   93.23493275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3ScNiO6
_chemical_formula_sum   'Sr6 Sc2 Ni2 O12'
_cell_volume   300.91690347
_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
  Sr  Sr0  1  0.37913400  0.12086500  0.75000000  1.0
  Sr  Sr1  1  0.75000000  0.37913500  0.12086600  1.0
  Sr  Sr2  1  0.24999900  0.62086600  0.87913500  1.0
  Sr  Sr3  1  0.62086500  0.87913400  0.25000100  1.0
  Sr  Sr4  1  0.12086600  0.75000000  0.37913500  1.0
  Sr  Sr5  1  0.87913400  0.25000000  0.62086600  1.0
  Sc  Sc6  1  0.75000000  0.75000100  0.75000000  1.0
  Sc  Sc7  1  0.25000100  0.25000000  0.25000000  1.0
  Ni  Ni8  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1.0
  O  O10  1  0.78958900  0.59522000  0.46681400  1.0
  O  O11  1  0.59522100  0.46681300  0.78958900  1.0
  O  O12  1  0.46681300  0.78958900  0.59522100  1.0
  O  O13  1  0.03318600  0.90478000  0.71041200  1.0
  O  O14  1  0.90477900  0.71041100  0.03318600  1.0
  O  O15  1  0.71041200  0.03318600  0.90477900  1.0
  O  O16  1  0.21041200  0.40477900  0.53318700  1.0
  O  O17  1  0.40477900  0.53318600  0.21041200  1.0
  O  O18  1  0.53318600  0.21041200  0.40477800  1.0
  O  O19  1  0.96681400  0.09522100  0.28958900  1.0
  O  O20  1  0.28958900  0.96681300  0.09522000  1.0
  O  O21  1  0.09522000  0.28958800  0.96681300  1.0