data_NaV2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.56
_cell_angle_alpha   98.48
_cell_angle_beta   98.48
_cell_angle_gamma   41.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Se
_chemical_formula_sum   'Na1 V2 Se1'
_cell_volume   81.26
_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  0.45  0.0  0.23  1.0
  V  V2  1  0.09  0.0  0.42  1.0
  V  V3  1  0.33  0.0  0.55  1.0
  Se  Se1  1  0.85  0.0  0.99  1.0

data_NaV2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.35
_cell_length_c   6.56
_cell_angle_alpha   98.48
_cell_angle_beta   90.0
_cell_angle_gamma   110.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Se
_chemical_formula_sum   'Na1 V2 Se1'
_cell_volume   81.26
_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  0.55  0.77  1.0
  V  V1  1  0.0  0.67  0.45  1.0
  V  V2  1  0.0  0.91  0.58  1.0
  Se  Se3  1  0.0  0.15  0.01  1.0

Na V V Se
Na V V Se 0 2 o o o 0 1 o o o 0 3 o o - 0 3 - o - 1 2 o o o 1 3 - o - 3 3 + - o 