data_[Ca2La16Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3258]
_cell_length_b [4.2236]
_cell_length_c [13.7521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.2424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(La2Rh)4]
_chemical_formula_sum '[Ca2 La16 Rh8]'
_cell_volume [887.7234]
_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  0.5000  0.0000  1
  La  La1  4  0.0413  0.5000  0.7399  1
  La  La2  4  0.1328  0.0000  0.5892  1
  La  La3  4  0.1658  0.0000  0.3391  1
  La  La4  4  0.2076  0.0000  0.0723  1
  Rh  Rh5  4  0.1454  0.5000  0.4602  1
  Rh  Rh6  4  0.1641  0.0000  0.8257  1
]