data_[Ba4Zn12Ni2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5770]
_cell_length_b [6.7725]
_cell_length_c [6.8070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Zn6NiRh]
_chemical_formula_sum '[Ba4 Zn12 Ni2 Rh2]'
_cell_volume [443.7234]
_cell_formula_units_Z [2]
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  0.2107  0.5000  0.1446  1.0
  Zn  Zn1  8  0.0281  0.2055  0.3112  1.0
  Zn  Zn2  4  0.2436  0.0000  0.3076  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh4  2  0.0000  0.5000  0.5000  1.0
]