data_NaMg2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2V
_chemical_formula_sum   'Na1 Mg2 V1'
_cell_volume   85.02
_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  Na2  1  0.0  0.0  0.0  1.0
  Mg  Mg0  1  0.98  0.0  0.16  1.0
  Mg  Mg1  1  0.98  0.0  1.0  1.0
  V  V3  1  0.0  0.0  0.08  1.0

data_NaMg2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.23
_cell_length_b   3.96
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMg2V
_chemical_formula_sum   'Na2 Mg4 V2'
_cell_volume   170.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  'x, -y, z'
  4  '-x, y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  'x+1/2, -y+1/2, z'
  8  '-x+1/2, y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mg  Mg1  2  0.49  0.5  0.16  1.0
  Mg  Mg2  2  0.49  0.5  1.0  1.0
  V  V3  2  0.0  0.0  0.08  1.0

Na Mg Mg V