data_[V96Re24Os40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.2331]
_cell_length_b [14.2331]
_cell_length_c [14.2331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [V12Re3Os5]
_chemical_formula_sum '[V96 Re24 Os40]'
_cell_volume [2883.3487]
_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
[
  V  V0  96  0.0138  0.0755  0.6522  1
  Re  Re1  24  0.0000  0.2500  0.1250  1
  Os  Os2  24  0.0000  0.2500  0.3750  1
  Os  Os3  16  0.0000  0.0000  0.0000  1
]