data_[Ta24Nb96Cr40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.9667]
_cell_length_b [14.9667]
_cell_length_c [14.9667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ta3Nb12Cr5]
_chemical_formula_sum '[Ta24 Nb96 Cr40]'
_cell_volume [3352.6025]
_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
[
  Ta  Ta0  24  0.0000  0.2500  0.1250  1
  Nb  Nb1  96  0.0247  0.5752  0.3600  1
  Cr  Cr2  24  0.0000  0.2500  0.3750  1
  Cr  Cr3  16  0.0000  0.0000  0.0000  1
]