data_[Ca10Rh6]
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 [Cmmm]
_cell_length_a [7.7162]
_cell_length_b [10.2644]
_cell_length_c [4.7187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca5Rh3]
_chemical_formula_sum '[Ca10 Rh6]'
_cell_volume [373.7362]
_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  4  0.2046  0.5000  0.5000  1
  Ca  Ca1  4  0.2500  0.2500  0.0000  1
  Ca  Ca2  2  0.0000  0.0000  0.0000  1
  Rh  Rh3  4  0.0000  0.2073  0.5000  1
  Rh  Rh4  2  0.0000  0.5000  0.0000  1
]