data_Na2LaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   131.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaV
_chemical_formula_sum   'Na2 La1 V1'
_cell_volume   101.91
_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
  Na  Na1  1  0.39  0.93  0.49  1.0
  Na  Na2  1  0.39  0.07  0.49  1.0
  La  La0  1  0.79  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_Na2LaV
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.57
_cell_length_b   2.98
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   114.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2LaV
_chemical_formula_sum   'Na2 La1 V1'
_cell_volume   101.91
_cell_formula_units_Z   1
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
  Na  Na0  1  0.07  0.5  0.68  1.0
  Na  Na1  1  0.93  0.5  0.54  1.0
  La  La2  1  0.0  0.0  0.21  1.0
  V  V3  1  0.0  0.0  0.0  1.0

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