data_LiBeV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   146.53
_cell_angle_beta   134.21
_cell_angle_gamma   57.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeV2
_chemical_formula_sum   'Li1 Be1 V2'
_cell_volume   49.04
_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  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.38  1.0
  V  V2  1  0.44  0.0  0.32  1.0
  V  V3  1  0.0  0.95  0.06  1.0

data_LiBeV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.89
_cell_length_c   5.0
_cell_angle_alpha   112.89
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeV2
_chemical_formula_sum   'Li1 Be1 V2'
_cell_volume   49.04
_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  0.0  0.0  1.0
  Be  Be1  1  0.62  0.62  0.62  1.0
  V  V2  1  0.12  0.68  0.12  1.0
  V  V3  1  0.94  0.89  0.89  1.0

Li Be V V
Li Be V V 0 3 o - o 0 2 o o o 1 3 o - o 2 3 o - o 