data_[Ca4Y8F32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [7.2417]
_cell_length_b [10.8955]
_cell_length_c [8.4437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CaY2F8]
_chemical_formula_sum '[Ca4 Y8 F32]'
_cell_volume [666.2202]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.9584  1.0
  Y  Y1  8  0.0000  0.1786  0.5480  1.0
  F  F2  16  0.1931  0.1407  0.0560  1.0
  F  F3  8  0.0000  0.2316  0.8071  1.0
  F  F4  4  0.0000  0.0000  0.4045  1.0
  F  F5  4  0.0000  0.0000  0.6988  1.0
]