# generated using pymatgen
data_Sr2NiO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11198528
_cell_length_b   7.11198528
_cell_length_c   7.11198528
_cell_angle_alpha   148.72243516
_cell_angle_beta   148.72243516
_cell_angle_gamma   44.82002819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiO3F
_chemical_formula_sum   'Sr2 Ni1 O3 F1'
_cell_volume   96.66703466
_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
  Sr  Sr0  1  0.63591400  0.63591400  0.00000000  1.0
  Sr  Sr1  1  0.36124000  0.36124000  0.00000000  1.0
  Ni  Ni2  1  0.98071500  0.98071500  0.00000000  1.0
  O  O3  1  0.50234200  0.00234200  0.50000000  1.0
  O  O4  1  0.00234200  0.50234200  0.50000000  1.0
  O  O5  1  0.82745000  0.82745000  0.00000000  1.0
  F  F6  1  0.17249700  0.17249700  0.00000000  1.0