data_[Ca4La12Rh8]
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 [17.3753]
_cell_length_b [4.2290]
_cell_length_c [12.5464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaLa3Rh2]
_chemical_formula_sum '[Ca4 La12 Rh8]'
_cell_volume [765.2338]
_cell_formula_units_Z [4]
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  0.0629  0.5000  0.6928  1
  La  La1  4  0.0591  0.0000  0.1857  1
  La  La2  4  0.1842  0.0000  0.5528  1
  La  La3  4  0.1924  0.5000  0.0650  1
  Rh  Rh4  4  0.1262  0.0000  0.8865  1
  Rh  Rh5  4  0.1276  0.5000  0.3704  1
]