data_[Mn8Al8V24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8495]
_cell_length_b [8.4001]
_cell_length_c [7.2812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnAlV3]
_chemical_formula_sum '[Mn8 Al8 V24]'
_cell_volume [524.0141]
_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
[
  Mn  Mn0  4  0.0000  0.1149  0.2500  1
  Mn  Mn1  4  0.0000  0.3594  0.7500  1
  Al  Al2  8  0.0960  0.3744  0.1495  1
  V  V3  8  0.0897  0.1278  0.6422  1
  V  V4  8  0.2170  0.1188  0.0550  1
  V  V5  8  0.2217  0.3691  0.5720  1
]