data_[Ca2Al10Pd2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9350]
_cell_length_b [7.4486]
_cell_length_c [9.9580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaAl5PdRh]
_chemical_formula_sum '[Ca2 Al10 Pd2 Rh2]'
_cell_volume [291.8725]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.9996  1
  Al  Al1  4  0.0000  0.1881  0.6528  1
  Al  Al2  4  0.0000  0.1953  0.3499  1
  Al  Al3  2  0.0000  0.5000  0.9996  1
  Pd  Pd4  2  0.0000  0.5000  0.7544  1
  Rh  Rh5  2  0.0000  0.5000  0.2408  1
]