data_NaTi2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   153.25
_cell_angle_beta   127.78
_cell_angle_gamma   59.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2V
_chemical_formula_sum   'Na1 Ti2 V1'
_cell_volume   72.57
_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  0.52  1.0
  Ti  Ti1  1  0.36  0.0  0.11  1.0
  Ti  Ti2  1  0.0  0.0  0.81  1.0
  V  V3  1  0.36  0.0  0.91  1.0

data_NaTi2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.19
_cell_length_c   5.9
_cell_angle_alpha   116.11
_cell_angle_beta   103.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2V
_chemical_formula_sum   'Na1 Ti2 V1'
_cell_volume   72.57
_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  0.48  0.48  0.48  1.0
  Ti  Ti1  1  0.19  0.19  0.19  1.0
  Ti  Ti2  1  0.25  0.89  0.25  1.0
  V  V3  1  0.45  0.09  0.45  1.0

Na Ti Ti V