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 [Cm]
_cell_length_a [9.8374]
_cell_length_b [4.4780]
_cell_length_c [8.8954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaHg2Rh]
_chemical_formula_sum '[Ca4 Hg8 Rh4]'
_cell_volume [359.2782]
_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  2  0.2910  0.0000  0.0703  1.0
  Ca  Ca1  2  0.3496  0.0000  0.5451  1.0
  Hg  Hg2  2  0.0247  0.5000  0.9124  1.0
  Hg  Hg3  2  0.1564  0.5000  0.2860  1.0
  Hg  Hg4  2  0.2454  0.5000  0.7476  1.0
  Hg  Hg5  2  0.4964  0.5000  0.4013  1.0
  Rh  Rh6  2  0.0056  0.0000  0.0889  1.0
  Rh  Rh7  2  0.0414  0.0000  0.7342  1.0
]