data_LaV2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2B
_chemical_formula_sum   'La1 V2 B1'
_cell_volume   58.35
_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
  La  La1  1  0.09  0.09  0.0  1.0
  V  V2  1  0.09  0.0  0.67  1.0
  V  V3  1  0.0  0.09  0.67  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_LaV2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaV2B
_chemical_formula_sum   'La2 V4 B2'
_cell_volume   116.7
_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
  La  La0  2  0.09  0.0  0.0  1.0
  V  V1  4  0.05  0.05  0.67  1.0
  B  B2  2  0.0  0.0  0.0  1.0

La V V B
La V V B 0 3 o o o 1 2 o o o 