data_[Ta12Ir4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [7.7529]
_cell_length_b [7.7529]
_cell_length_c [7.7529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Ta3IrRh3]
_chemical_formula_sum '[Ta12 Ir4 Rh12]'
_cell_volume [466.0136]
_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  0.0372  0.3071  0.8724  1
  Ir  Ir1  4  0.1310  0.6310  0.8690  1
  Rh  Rh2  4  0.0362  0.4638  0.5362  1
  Rh  Rh3  4  0.1601  0.8399  0.3399  1
  Rh  Rh4  4  0.1677  0.1677  0.1677  1
]