data_[Ca16Pd4Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.8198]
_cell_length_b [14.0117]
_cell_length_c [4.9442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca8Pd2Rh3]
_chemical_formula_sum '[Ca16 Pd4 Rh6]'
_cell_volume [680.2848]
_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  8  0.2488  0.1195  0.5000  1
  Ca  Ca1  4  0.0000  0.1205  0.0000  1
  Ca  Ca2  4  0.0000  0.3803  0.0000  1
  Pd  Pd3  4  0.0000  0.2480  0.5000  1
  Rh  Rh4  4  0.2458  0.0000  0.0000  1
  Rh  Rh5  2  0.0000  0.0000  0.5000  1
]