data_[Li24Zr4Be4F48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.4268]
_cell_length_b [6.4268]
_cell_length_c [17.9506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Li6ZrBeF12]
_chemical_formula_sum '[Li24 Zr4 Be4 F48]'
_cell_volume [741.4352]
_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
[
  Li  Li0  16  0.2342  0.2500  0.6250  1
  Li  Li1  8  0.0000  0.0000  0.2733  1
  Zr  Zr2  4  0.0000  0.0000  0.0000  1
  Be  Be3  4  0.0000  0.0000  0.5000  1
  F  F4  16  0.0000  0.1953  0.5513  1
  F  F5  16  0.0000  0.2077  0.1990  1
  F  F6  16  0.0000  0.2362  0.9155  1
]