data_[Sr4Li4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1202]
_cell_length_b [3.8467]
_cell_length_c [10.8413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrLiF3]
_chemical_formula_sum '[Sr4 Li4 F12]'
_cell_volume [255.2342]
_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  4  0.0398  0.7500  0.6580  1.0
  Li  Li1  4  0.0148  0.7500  0.0824  1.0
  F  F2  4  0.0495  0.2500  0.1086  1.0
  F  F3  4  0.1605  0.2500  0.5355  1.0
  F  F4  4  0.2464  0.7500  0.2931  1.0
]