data_[Mg2Sc2V2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.2190]
_cell_length_b [3.2190]
_cell_length_c [11.5163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [MgScV]
_chemical_formula_sum '[Mg2 Sc2 V2]'
_cell_volume [119.3291]
_cell_formula_units_Z [2]
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
[
  Mg  Mg0  2  0.0000  0.5000  0.9081  1.0
  Sc  Sc1  2  0.0000  0.5000  0.2938  1.0
  V  V2  2  0.0000  0.5000  0.5461  1.0
]