data_[Sr4Zr4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.6880]
_cell_length_b [11.1013]
_cell_length_c [5.3934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [SrZrF6]
_chemical_formula_sum '[Sr4 Zr4 F24]'
_cell_volume [460.3084]
_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  0.0000  0.2500  0.4575  1.0
  Zr  Zr1  4  0.2500  0.0000  0.0000  1.0
  F  F2  16  0.1890  0.1284  0.7396  1.0
  F  F3  8  0.0000  0.0759  0.1568  1.0
]