data_[Ca4Cd4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3209]
_cell_length_b [4.3749]
_cell_length_c [7.4172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCdRh]
_chemical_formula_sum '[Ca4 Cd4 Rh4]'
_cell_volume [274.8107]
_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
[
  Ca  Ca0  4  0.0750  0.0000  0.3346  1.0
  Cd  Cd1  4  0.1811  0.5000  0.0840  1.0
  Rh  Rh2  4  0.1388  0.5000  0.6752  1.0
]