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 [P-1]
_cell_length_a [2.6536]
_cell_length_b [4.5045]
_cell_length_c [7.2870]
_cell_angle_alpha [98.4928]
_cell_angle_beta [98.6442]
_cell_angle_gamma [90.3190]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiBeNb]
_chemical_formula_sum '[Li2 Be2 Nb2]'
_cell_volume [85.1348]
_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  0.2276  0.7471  0.4943  1
  Be  Be1  2  0.3906  0.1990  0.7984  1
  Nb  Nb2  2  0.1460  0.2782  0.1240  1
]