data_LaV2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.09
_cell_angle_alpha   115.37
_cell_angle_beta   115.37
_cell_angle_gamma   47.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2B
_chemical_formula_sum   'La1 V2 B1'
_cell_volume   68.2
_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  0.41  0.0  0.39  1.0
  V  V2  1  0.79  0.0  0.71  1.0
  V  V3  1  0.67  0.0  0.51  1.0
  B  B0  1  0.08  0.0  0.85  1.0

data_LaV2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.16
_cell_length_c   5.72
_cell_angle_alpha   74.26
_cell_angle_beta   73.11
_cell_angle_gamma   66.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2B
_chemical_formula_sum   'La1 V2 B1'
_cell_volume   68.2
_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  La0  1  0.0  0.03  0.39  1.0
  V  V1  1  0.0  0.08  0.71  1.0
  V  V2  1  0.0  0.16  0.51  1.0
  B  B3  1  0.0  0.23  0.85  1.0

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