data_[Ti16In4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1145]
_cell_length_b [4.9992]
_cell_length_c [7.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti4InRh]
_chemical_formula_sum '[Ti16 In4 Rh4]'
_cell_volume [412.6176]
_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
[
  Ti  Ti0  8  0.0817  0.3547  0.6690  1
  Ti  Ti1  8  0.1793  0.1845  0.1041  1
  In  In2  4  0.0000  0.1452  0.2500  1
  Rh  Rh3  4  0.2500  0.2500  0.5000  1
]