data_[Ba8Tc8Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tc  1.9000  1.3500  0.7417
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.7906]
_cell_length_b [19.5119]
_cell_length_c [5.5583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [BaTcRh]
_chemical_formula_sum '[Ba8 Tc8 Rh8]'
_cell_volume [628.0110]
_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
[
  Ba  Ba0  8  0.0000  0.1593  0.2084  1
  Tc  Tc1  8  0.2005  0.0000  0.4067  1
  Rh  Rh2  8  0.0000  0.0858  0.7200  1
]