data_LiVB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   7.48
_cell_angle_alpha   19.19
_cell_angle_beta   19.19
_cell_angle_gamma   19.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVB2
_chemical_formula_sum   'Li1 V1 B2'
_cell_volume   39.59
_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  Li2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.02  1.0
  B  B0  1  0.0  0.0  0.45  1.0
  B  B1  1  0.0  0.0  0.59  1.0

data_LiVB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   2.49
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   101.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiVB2
_chemical_formula_sum   'Li2 V2 B4'
_cell_volume   79.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.98  1.0
  B  B2  2  -0.0  0.0  0.55  1.0
  B  B3  2  0.0  0.0  0.41  1.0

Li V B B