data_[Ta12Os4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [7.7554]
_cell_length_b [7.7554]
_cell_length_c [7.7554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Ta3OsRh3]
_chemical_formula_sum '[Ta12 Os4 Rh12]'
_cell_volume [466.4544]
_cell_formula_units_Z [4]
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  12  0.0390  0.3089  0.8710  1
  Os  Os1  4  0.1301  0.6301  0.8699  1
  Rh  Rh2  4  0.0363  0.4637  0.5363  1
  Rh  Rh3  4  0.1588  0.8412  0.3412  1
  Rh  Rh4  4  0.1679  0.1679  0.1679  1
]