data_[Ba4Sn4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6810]
_cell_length_b [4.7197]
_cell_length_c [6.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSnRh]
_chemical_formula_sum '[Ba4 Sn4 Rh4]'
_cell_volume [354.5630]
_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  0.1199  0.0000  0.3254  1.0
  Sn  Sn1  4  0.1053  0.5000  0.8413  1.0
  Rh  Rh2  4  0.2017  0.0000  0.8785  1.0
]