data_[Li4Be4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.2791]
_cell_length_b [5.2334]
_cell_length_c [4.5395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiBeC]
_chemical_formula_sum '[Li4 Be4 C4]'
_cell_volume [101.6538]
_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  0.2273  0.0000  0.6120  1
  Be  Be1  4  0.0000  0.2993  0.0000  1
  C  C2  4  0.1634  0.0000  0.1196  1
]