data_[Th8Cr8Tc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.3152]
_cell_length_b [8.7770]
_cell_length_c [9.3453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [ThCrTc]
_chemical_formula_sum '[Th8 Cr8 Tc8]'
_cell_volume [435.9651]
_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
[
  Th  Th0  8  0.0000  0.0000  0.3402  1
  Cr  Cr1  8  0.2500  0.2500  0.2500  1
  Tc  Tc2  8  0.0000  0.1446  0.0000  1
]