data_[Ca2Sb4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0419]
_cell_length_b [7.2476]
_cell_length_c [5.7822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(SbRh)2]
_chemical_formula_sum '[Ca2 Sb4 Rh4]'
_cell_volume [226.0805]
_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  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  4  0.1115  0.5000  0.2917  1.0
  Rh  Rh2  4  0.0000  0.2109  0.5000  1.0
]