data_Na2LiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   4.92
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiV
_chemical_formula_sum   'Na2 Li1 V1'
_cell_volume   84.41
_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  0.29  0.46  0.59  1.0
  Na  Na2  1  0.0  0.0  0.83  1.0
  Li  Li0  1  0.0  0.0  0.7  1.0
  V  V3  1  0.29  0.46  0.51  1.0

data_Na2LiV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.92
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiV
_chemical_formula_sum   'Na2 Li1 V1'
_cell_volume   84.41
_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  Na0  1  0.0  0.0  0.83  1.0
  Na  Na1  1  0.29  0.46  0.59  1.0
  Li  Li2  1  0.0  0.0  0.7  1.0
  V  V3  1  0.29  0.46  0.51  1.0

Na Na Li V
Na Na Li V 0 3 o o o 1 2 o o o 