data_Na2MgV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   5.69
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   93.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgV
_chemical_formula_sum   'Na2 Mg1 V1'
_cell_volume   96.79
_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  0.49  0.84  0.12  1.0
  Na  Na2  1  0.21  0.84  0.43  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.35  0.0  0.77  1.0

data_Na2MgV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.56
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgV
_chemical_formula_sum   'Na2 Mg1 V1'
_cell_volume   96.79
_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  0.51  0.88  0.16  1.0
  Na  Na1  1  0.79  0.57  0.16  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.65  0.23  0.0  1.0

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