data_[Li4Be24As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.7741]
_cell_length_b [5.6198]
_cell_length_c [24.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li(Be3As2)2]
_chemical_formula_sum '[Li4 Be24 As16]'
_cell_volume [659.6995]
_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  4  0.0000  0.0000  0.0000  1
  Be  Be1  16  0.2500  0.2500  0.1250  1
  Be  Be2  8  0.2500  0.2500  0.2500  1
  As  As3  8  0.0000  0.0000  0.1912  1
  As  As4  8  0.0000  0.0000  0.4271  1
]