data_[Mg1Al1V4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9358]
_cell_length_b [2.9358]
_cell_length_c [13.5306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [MgAl(V2C)2]
_chemical_formula_sum '[Mg1 Al1 V4 C2]'
_cell_volume [100.9977]
_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
[
  Mg  Mg0  1  0.3333  0.6667  0.5000  1
  Al  Al1  1  0.0000  0.0000  0.0000  1
  V  V2  2  0.0000  0.0000  0.3199  1
  V  V3  2  0.3333  0.6667  0.1589  1
  C  C4  2  0.6667  0.3333  0.2412  1
]