data_NaTa2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   145.16
_cell_angle_beta   127.72
_cell_angle_gamma   64.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2V
_chemical_formula_sum   'Na1 Ta2 V1'
_cell_volume   71.95
_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  0.45  1.0
  Ta  Ta1  1  0.0  0.4  0.53  1.0
  Ta  Ta2  1  0.0  0.0  0.68  1.0
  V  V3  1  0.0  0.4  0.16  1.0

data_NaTa2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.79
_cell_length_c   5.44
_cell_angle_alpha   116.14
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2V
_chemical_formula_sum   'Na1 Ta2 V1'
_cell_volume   71.95
_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  0.45  0.45  1.0
  Ta  Ta1  1  0.0  0.68  0.68  1.0
  Ta  Ta2  1  0.6  0.13  0.13  1.0
  V  V3  1  0.6  0.76  0.76  1.0

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