data_[Ce4Tl4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5911]
_cell_length_b [5.4981]
_cell_length_c [9.6069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeTlRh]
_chemical_formula_sum '[Ce4 Tl4 Rh4]'
_cell_volume [292.6229]
_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
[
  Ce  Ce0  4  0.1634  0.5000  0.1749  1.0
  Tl  Tl1  4  0.2312  0.0000  0.4215  1.0
  Rh  Rh2  4  0.1422  0.0000  0.1290  1.0
]