data_[Ti16Mo4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9673]
_cell_length_b [4.5953]
_cell_length_c [5.2316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Mo2Rh]
_chemical_formula_sum '[Ti16 Mo4 Rh2]'
_cell_volume [359.7383]
_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  0.0471  0.0000  0.7324  1.0
  Ti  Ti1  4  0.0869  0.5000  0.4325  1.0
  Ti  Ti2  4  0.1417  0.0000  0.2270  1.0
  Ti  Ti3  4  0.1796  0.5000  0.9272  1.0
  Mo  Mo4  4  0.2295  0.0000  0.6466  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]