data_[Ca10Rh5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2169]
_cell_length_b [4.2169]
_cell_length_c [29.7295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ca2Rh]
_chemical_formula_sum '[Ca10 Rh5]'
_cell_volume [457.8355]
_cell_formula_units_Z [5]
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  0.2469  1
  Ca  Ca1  2  0.3333  0.6667  0.1532  1
  Ca  Ca2  2  0.3333  0.6667  0.3525  1
  Ca  Ca3  2  0.3333  0.6667  0.5540  1
  Ca  Ca4  2  0.3333  0.6667  0.9531  1
  Rh  Rh5  2  0.0000  0.0000  0.3990  1
  Rh  Rh6  2  0.3333  0.6667  0.8001  1
  Rh  Rh7  1  0.0000  0.0000  0.0000  1
]