data_[Li2Be2Nb2]
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
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7337]
_cell_length_b [3.4844]
_cell_length_c [9.1869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiBeNb]
_chemical_formula_sum '[Li2 Be2 Nb2]'
_cell_volume [87.5083]
_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  1  0.0000  0.5000  0.4055  1
  Li  Li1  1  0.5000  0.0000  0.2228  1
  Be  Be2  1  0.5000  0.0000  0.5659  1
  Be  Be3  1  0.5000  0.0000  0.8594  1
  Nb  Nb4  1  0.0000  0.5000  0.0109  1
  Nb  Nb5  1  0.0000  0.5000  0.7060  1
]