data_[Ca4Hg8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2478]
_cell_length_b [11.5728]
_cell_length_c [7.5943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaHg2Rh]
_chemical_formula_sum '[Ca4 Hg8 Rh4]'
_cell_volume [373.3314]
_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  0.5000  0.2098  0.6546  1.0
  Hg  Hg1  4  0.0000  0.1278  0.3334  1.0
  Hg  Hg2  2  0.0000  0.0000  0.6787  1.0
  Hg  Hg3  2  0.5000  0.0000  0.0409  1.0
  Rh  Rh4  4  0.0000  0.1501  0.9599  1.0
]