data_[Mg28V2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.6445]
_cell_length_b [7.9071]
_cell_length_c [10.2085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14VC]
_chemical_formula_sum '[Mg28 V2 C2]'
_cell_volume [697.7790]
_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  8  0.3172  0.1862  0.4005  1
  Mg  Mg1  4  0.0000  0.1960  0.5824  1
  Mg  Mg2  4  0.2188  0.0000  0.0728  1
  Mg  Mg3  4  0.2887  0.0000  0.6870  1
  Mg  Mg4  4  0.5000  0.1894  0.1605  1
  Mg  Mg5  2  0.0000  0.0000  0.3127  1
  Mg  Mg6  2  0.0000  0.0000  0.8502  1
  V  V7  2  0.5000  0.0000  0.9019  1
  C  C8  2  0.5000  0.0000  0.3278  1
]