data_[Ta26Cr32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [9.5676]
_cell_length_b [9.5676]
_cell_length_c [9.5676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Ta13Cr16]
_chemical_formula_sum '[Ta26 Cr32]'
_cell_volume [875.8174]
_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
[
  Ta  Ta0  24  0.0980  0.0980  0.6989  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Cr  Cr2  24  0.0562  0.3624  0.6376  1
  Cr  Cr3  8  0.1886  0.8114  0.8114  1
]