data_LaNb2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56
_cell_length_b   9.56
_cell_length_c   9.56
_cell_angle_alpha   19.07
_cell_angle_beta   19.07
_cell_angle_gamma   19.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2V
_chemical_formula_sum   'La1 Nb2 V1'
_cell_volume   81.63
_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  0.0  0.08  1.0
  Nb  Nb1  1  0.0  0.0  0.69  1.0
  Nb  Nb2  1  0.0  0.0  0.48  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_LaNb2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNb2V
_chemical_formula_sum   'La2 Nb4 V2'
_cell_volume   163.26
_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  0.0  0.0  0.92  1.0
  Nb  Nb1  2  0.0  0.0  0.31  1.0
  Nb  Nb2  2  0.0  0.0  0.52  1.0
  V  V3  2  0.0  0.0  0.0  1.0

La Nb Nb V