data_[Cs6P2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5679]
_cell_length_b [8.5679]
_cell_length_c [6.3128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Cs3PF7]
_chemical_formula_sum '[Cs6 P2 F14]'
_cell_volume [463.4216]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.1945  0.3055  0.5000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  P  P2  2  0.0000  0.5000  0.0000  1
  F  F3  8  0.1052  0.6052  0.2050  1
  F  F4  4  0.1495  0.3505  0.0000  1
  F  F5  2  0.0000  0.0000  0.5000  1
]