data_[Li4Ca2Y2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [I-4]
_cell_length_a [5.2998]
_cell_length_b [5.2998]
_cell_length_c [10.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Li2CaYF8]
_chemical_formula_sum '[Li4 Ca2 Y2 F16]'
_cell_volume [303.9809]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.7500  1.0
  Ca  Ca2  2  0.0000  0.0000  0.0000  1.0
  Y  Y3  2  0.0000  0.5000  0.2500  1.0
  F  F4  8  0.1549  0.2779  0.4164  1.0
  F  F5  8  0.1683  0.7772  0.8271  1.0
]