data_[Na4Mg4V4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.3619]
_cell_length_b [6.4572]
_cell_length_c [8.7812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaMgV]
_chemical_formula_sum '[Na4 Mg4 V4]'
_cell_volume [247.3304]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.1475  1
  Mg  Mg1  4  0.0000  0.0000  0.5000  1
  V  V2  4  0.0000  0.2500  0.7723  1
]