data_Li2BeNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   152.86
_cell_angle_beta   128.56
_cell_angle_gamma   59.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeNb
_chemical_formula_sum   'Li2 Be1 Nb1'
_cell_volume   58.24
_cell_formula_units_Z   1
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  Li1  1  0.29  0.0  0.25  1.0
  Li  Li2  1  0.0  0.0  0.27  1.0
  Be  Be0  1  0.0  0.0  0.27  1.0
  Nb  Nb3  1  0.29  0.0  0.5  1.0

data_Li2BeNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.75
_cell_length_c   5.48
_cell_angle_alpha   115.72
_cell_angle_beta   103.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeNb
_chemical_formula_sum   'Li2 Be1 Nb1'
_cell_volume   58.24
_cell_formula_units_Z   1
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  0.0  0.25  0.96  1.0
  Li  Li1  1  0.0  0.27  0.27  1.0
  Be  Be2  1  0.0  0.27  0.27  1.0
  Nb  Nb3  1  0.0  0.5  0.22  1.0
