data_[Ba6Li1Ag1Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.2702]
_cell_length_b [8.2702]
_cell_length_c [7.8070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [Ba6LiAgRh]
_chemical_formula_sum '[Ba6 Li1 Ag1 Rh1]'
_cell_volume [462.4262]
_cell_formula_units_Z [1]
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  6  0.0336  0.3569  0.7296  1.0
  Li  Li1  1  0.6667  0.3333  0.0000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  Rh  Rh3  1  0.3333  0.6667  0.5000  1.0
]