data_[Mg2Sc4V4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.1796]
_cell_length_b [14.2047]
_cell_length_c [4.9346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MgSc2V2O8]
_chemical_formula_sum '[Mg2 Sc4 V4 O16]'
_cell_volume [339.6232]
_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  0.0155  0.0000  1.0
  Sc  Sc1  2  0.0000  0.3380  0.0000  1.0
  Sc  Sc2  2  0.0000  0.6781  0.5000  1.0
  V  V3  2  0.0000  0.1803  0.5000  1.0
  V  V4  2  0.0000  0.8185  0.0000  1.0
  O  O5  4  0.1891  0.0965  0.4215  1.0
  O  O6  4  0.2178  0.9121  0.9981  1.0
  O  O7  4  0.2418  0.2183  0.9768  1.0
  O  O8  4  0.2451  0.7870  0.4887  1.0
]