data_[Ti16Bi4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4809]
_cell_length_b [4.7622]
_cell_length_c [5.4089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Bi2Rh]
_chemical_formula_sum '[Ti16 Bi4 Rh2]'
_cell_volume [397.6334]
_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
[
  Ti  Ti0  4  0.0432  0.0000  0.2724  1
  Ti  Ti1  4  0.0827  0.5000  0.5588  1
  Ti  Ti2  4  0.1535  0.5000  0.1196  1
  Ti  Ti3  4  0.2330  0.0000  0.3420  1
  Bi  Bi4  4  0.1549  0.0000  0.8063  1
  Rh  Rh5  2  0.0000  0.5000  0.0000  1
]