data_NaV2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   157.41
_cell_angle_beta   131.8
_cell_angle_gamma   53.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Zn
_chemical_formula_sum   'Na1 V2 Zn1'
_cell_volume   65.24
_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  0.0  1.0
  V  V1  1  0.0  0.5  0.39  1.0
  V  V2  1  0.2  0.0  0.06  1.0
  Zn  Zn3  1  0.0  0.0  0.45  1.0

data_NaV2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.4
_cell_length_b   4.99
_cell_length_c   6.12
_cell_angle_alpha   114.1
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Zn
_chemical_formula_sum   'Na1 V2 Zn1'
_cell_volume   65.24
_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  0.0  1.0
  V  V1  1  0.0  0.06  0.86  1.0
  V  V2  1  0.5  0.9  0.9  1.0
  Zn  Zn3  1  0.0  0.45  0.45  1.0

Na V V Zn