# generated using pymatgen
data_Sr2NiClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49655539
_cell_length_b   5.49388040
_cell_length_c   14.72308400
_cell_angle_alpha   90.00006707
_cell_angle_beta   89.99996480
_cell_angle_gamma   90.02427806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiClO3
_chemical_formula_sum   'Sr8 Ni4 Cl4 O12'
_cell_volume   444.59908067
_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  0.25000200  0.99999900  0.90580400  1.0
  Sr  Sr1  1  0.75000000  0.49999800  0.90517400  1.0
  Sr  Sr2  1  0.75000000  0.00000300  0.09478700  1.0
  Sr  Sr3  1  0.25000100  0.50000200  0.09443500  1.0
  Sr  Sr4  1  0.25000100  0.99999800  0.65928500  1.0
  Sr  Sr5  1  0.75000100  0.49999800  0.65957500  1.0
  Sr  Sr6  1  0.75000100  0.00000200  0.34029900  1.0
  Sr  Sr7  1  0.25000100  0.50000200  0.34061800  1.0
  Ni  Ni8  1  0.25000000  0.49999800  0.79167300  1.0
  Ni  Ni9  1  0.74999900  0.49999200  0.20272000  1.0
  Ni  Ni10  1  0.74998600  0.00000100  0.79725900  1.0
  Ni  Ni11  1  0.25000000  0.00000300  0.20839100  1.0
  Cl  Cl12  1  0.75000000  0.99999800  0.58054300  1.0
  Cl  Cl13  1  0.25000000  0.49999900  0.57643600  1.0
  Cl  Cl14  1  0.25000000  0.00000000  0.42364000  1.0
  Cl  Cl15  1  0.75000100  0.50000100  0.41967600  1.0
  O  O16  1  0.74999800  0.99999800  0.92924700  1.0
  O  O17  1  0.25000000  0.49999800  0.92544500  1.0
  O  O18  1  0.25000100  0.00000100  0.07433600  1.0
  O  O19  1  0.75000000  0.50000000  0.07070900  1.0
  O  O20  1  0.49235700  0.25756900  0.77237300  1.0
  O  O21  1  0.00764500  0.74242700  0.77237200  1.0
  O  O22  1  0.49236600  0.74241100  0.77227700  1.0
  O  O23  1  0.00763500  0.25758500  0.77227700  1.0
  O  O24  1  0.49231400  0.75756100  0.22763000  1.0
  O  O25  1  0.00768700  0.24244600  0.22763000  1.0
  O  O26  1  0.49237000  0.24249400  0.22769500  1.0
  O  O27  1  0.00763100  0.75751300  0.22769500  1.0