data_[Li2Be4]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.2854]
_cell_length_b [3.5337]
_cell_length_c [7.6893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiBe2]
_chemical_formula_sum '[Li2 Be4]'
_cell_volume [61.6550]
_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  0.3337  0.2500  0.6197  1.0
  Be  Be1  2  0.0697  0.2500  0.1759  1.0
  Be  Be2  2  0.4715  0.2500  0.9191  1.0
]