data_[Ca24Mg4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7020]
_cell_length_b [9.7738]
_cell_length_c [11.1712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca6MgRh2]
_chemical_formula_sum '[Ca24 Mg4 Rh8]'
_cell_volume [1059.3043]
_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  8  0.0000  0.2066  0.2428  1
  Ca  Ca1  8  0.1752  0.5000  0.1589  1
  Ca  Ca2  8  0.2027  0.3214  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Rh  Rh5  4  0.0000  0.2870  0.0000  1
  Rh  Rh6  4  0.0000  0.5000  0.3692  1
]