data_[Ba12Sr4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4_1]
_cell_length_a [8.4470]
_cell_length_b [8.4470]
_cell_length_c [14.4682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [76]
_chemical_formula_structural [Ba3SrRh]
_chemical_formula_sum '[Ba12 Sr4 Rh4]'
_cell_volume [1032.3243]
_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
[
  Ba  Ba0  4  0.0292  0.3207  0.6265  1
  Ba  Ba1  4  0.0851  0.1852  0.1029  1
  Ba  Ba2  4  0.3198  0.4174  0.8739  1
  Sr  Sr3  4  0.1739  0.4684  0.3501  1
  Rh  Rh4  4  0.1080  0.6045  0.7379  1
]