data_[Ca2Ru4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2503]
_cell_length_b [2.8207]
_cell_length_c [5.2290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaRu2Rh]
_chemical_formula_sum '[Ca2 Ru4 Rh2]'
_cell_volume [134.2706]
_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  0.4980  0.0000  0.4818  1
  Ru  Ru1  2  0.0004  0.0000  0.9715  1
  Ru  Ru2  2  0.2647  0.0000  0.8197  1
  Rh  Rh3  2  0.2367  0.5000  0.2270  1
]