data_[Sr1Li2Nb1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7297]
_cell_length_b [7.4038]
_cell_length_c [4.9530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrLi2NbF8]
_chemical_formula_sum '[Sr1 Li2 Nb1 F8]'
_cell_volume [171.0857]
_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  0.0000  0.5000  0.0000  1.0
  Li  Li1  2  0.5000  0.3078  0.5000  1.0
  Nb  Nb2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.2082  0.2150  0.2177  1.0
  F  F4  2  0.2722  0.0000  0.7504  1.0
  F  F5  2  0.3402  0.5000  0.6882  1.0
]