# generated using pymatgen
data_Sr2NiClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90846910
_cell_length_b   3.90842810
_cell_length_c   29.26471400
_cell_angle_alpha   89.99999608
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.97355432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiClO3
_chemical_formula_sum   'Sr8 Ni4 Cl4 O12'
_cell_volume   447.04685985
_cell_formula_units_Z   4
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  0.25000000  0.25000000  0.45241600  1.0
  Sr  Sr1  1  0.25000000  0.25000000  0.95240600  1.0
  Sr  Sr2  1  0.75000000  0.75000000  0.04757800  1.0
  Sr  Sr3  1  0.75000000  0.75000000  0.54759000  1.0
  Sr  Sr4  1  0.25000000  0.25000000  0.32956900  1.0
  Sr  Sr5  1  0.25000000  0.25000000  0.82959200  1.0
  Sr  Sr6  1  0.75000000  0.75000000  0.17041200  1.0
  Sr  Sr7  1  0.75000000  0.75000000  0.67045500  1.0
  Ni  Ni8  1  0.75000000  0.75000100  0.89639600  1.0
  Ni  Ni9  1  0.25000000  0.24999900  0.10359100  1.0
  Ni  Ni10  1  0.75000000  0.75000000  0.39642800  1.0
  Ni  Ni11  1  0.25000100  0.24999900  0.60355100  1.0
  Cl  Cl12  1  0.75000000  0.75000000  0.28910700  1.0
  Cl  Cl13  1  0.75000100  0.75000000  0.78912400  1.0
  Cl  Cl14  1  0.25000000  0.25000100  0.21090100  1.0
  Cl  Cl15  1  0.25000000  0.25000000  0.71088000  1.0
  O  O16  1  0.75000000  0.75000000  0.46327400  1.0
  O  O17  1  0.75000000  0.75000000  0.96328200  1.0
  O  O18  1  0.24999900  0.24999900  0.03668700  1.0
  O  O19  1  0.25000000  0.25000000  0.53674100  1.0
  O  O20  1  0.25000000  0.75000100  0.38629800  1.0
  O  O21  1  0.25000000  0.75000000  0.88631300  1.0
  O  O22  1  0.75000000  0.25000000  0.38629400  1.0
  O  O23  1  0.75000000  0.25000000  0.88631500  1.0
  O  O24  1  0.75000000  0.25000100  0.11371100  1.0
  O  O25  1  0.75000000  0.25000000  0.61368900  1.0
  O  O26  1  0.25000000  0.74999900  0.11370800  1.0
  O  O27  1  0.25000000  0.75000000  0.61369300  1.0