data_LaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   5.51
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV
_chemical_formula_sum   'La2 V2'
_cell_volume   98.97
_cell_formula_units_Z   2
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  0.77  0.0  0.03  1.0
  La  La1  1  0.0  0.76  0.04  1.0
  V  V2  1  0.77  0.76  0.72  1.0
  V  V3  1  0.0  0.0  0.35  1.0

data_LaV
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.54
_cell_length_b   5.07
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaV
_chemical_formula_sum   'La2 V2'
_cell_volume   98.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.11  0.5  0.88  1.0
  V  V1  2  0.11  0.82  0.12  1.0

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