data_[Mg8V8Ni48]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1778]
_cell_length_b [10.1580]
_cell_length_c [10.1860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [MgVNi6]
_chemical_formula_sum '[Mg8 V8 Ni48]'
_cell_volume [742.6828]
_cell_formula_units_Z [8]
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  4  0.0000  0.2526  0.0000  1
  Mg  Mg1  4  0.0000  0.5000  0.2500  1
  V  V2  4  0.0000  0.0000  0.2449  1
  V  V3  4  0.0000  0.2500  0.5000  1
  Ni  Ni4  16  0.2426  0.1231  0.1300  1
  Ni  Ni5  16  0.2450  0.1268  0.3792  1
  Ni  Ni6  8  0.0000  0.2462  0.2578  1
  Ni  Ni7  2  0.0000  0.0000  0.0000  1
  Ni  Ni8  2  0.0000  0.0000  0.5000  1
  Ni  Ni9  2  0.0000  0.5000  0.0000  1
  Ni  Ni10  2  0.0000  0.5000  0.5000  1
]