data_[Sr24P12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.9055]
_cell_length_b [14.8466]
_cell_length_c [7.2205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr6P3F]
_chemical_formula_sum '[Sr24 P12 F4]'
_cell_volume [1276.2650]
_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  8  0.1608  0.2706  0.6915  1.0
  Sr  Sr1  8  0.1631  0.4770  0.1905  1.0
  Sr  Sr2  4  0.0000  0.0414  0.6764  1.0
  Sr  Sr3  4  0.0000  0.2211  0.1714  1.0
  P  P4  8  0.1767  0.1077  0.9694  1.0
  P  P5  4  0.0000  0.3890  0.9085  1.0
  F  F6  4  0.0000  0.1939  0.5262  1.0
]