data_[Ti16Co6Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4524]
_cell_length_b [6.8922]
_cell_length_c [5.2508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Co3Rh2]
_chemical_formula_sum '[Ti16 Co6 Rh4]'
_cell_volume [410.3383]
_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  8  0.1126  0.3019  0.3900  1
  Ti  Ti1  4  0.0942  0.5000  0.8992  1
  Ti  Ti2  4  0.1707  0.0000  0.8179  1
  Co  Co3  4  0.0000  0.1816  0.0000  1
  Co  Co4  2  0.0000  0.0000  0.5000  1
  Rh  Rh5  4  0.2179  0.0000  0.3065  1
]