# generated using pymatgen
data_Sr2NiClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51569468
_cell_length_b   5.50288392
_cell_length_c   15.22515979
_cell_angle_alpha   79.58549931
_cell_angle_beta   79.53896198
_cell_angle_gamma   89.98440292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiClO3
_chemical_formula_sum   'Sr8 Ni4 Cl4 O12'
_cell_volume   446.69680175
_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  0.04727500  0.79746700  0.90515000  1.0
  Sr  Sr1  1  0.54702200  0.29721500  0.90586900  1.0
  Sr  Sr2  1  0.45296700  0.70283600  0.09411600  1.0
  Sr  Sr3  1  0.95270100  0.20251200  0.09488500  1.0
  Sr  Sr4  1  0.17022700  0.92027100  0.65944100  1.0
  Sr  Sr5  1  0.66994200  0.42003400  0.66013100  1.0
  Sr  Sr6  1  0.33001500  0.57995600  0.33990400  1.0
  Sr  Sr7  1  0.82976800  0.07970700  0.34055100  1.0
  Ni  Ni8  1  0.10126300  0.35151500  0.79727600  1.0
  Ni  Ni9  1  0.39596900  0.14541900  0.20845900  1.0
  Ni  Ni10  1  0.60404800  0.85453700  0.79152300  1.0
  Ni  Ni11  1  0.89882200  0.64838100  0.20277200  1.0
  Cl  Cl12  1  0.20942700  0.45927900  0.58128300  1.0
  Cl  Cl13  1  0.71194400  0.96182500  0.57624800  1.0
  Cl  Cl14  1  0.28805100  0.03815500  0.42369600  1.0
  Cl  Cl15  1  0.79063700  0.54076500  0.41850800  1.0
  O  O16  1  0.03549100  0.28552300  0.92910700  1.0
  O  O17  1  0.53708900  0.78741800  0.92556600  1.0
  O  O18  1  0.46288700  0.21260000  0.07447200  1.0
  O  O19  1  0.96445900  0.71440000  0.07094900  1.0
  O  O20  1  0.37160800  0.62189100  0.77248900  1.0
  O  O21  1  0.85558800  0.10614800  0.77248700  1.0
  O  O22  1  0.85579800  0.62169300  0.77249000  1.0
  O  O23  1  0.37141200  0.10630200  0.77240000  1.0
  O  O24  1  0.14443800  0.89389700  0.22752000  1.0
  O  O25  1  0.62841000  0.37815500  0.22755100  1.0
  O  O26  1  0.62857800  0.89374400  0.22761600  1.0
  O  O27  1  0.14416300  0.37835800  0.22753800  1.0