data_[Ca4La12Rh4]
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 [P2_1/c]
_cell_length_a [8.9428]
_cell_length_b [6.7704]
_cell_length_c [11.4163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaLa3Rh]
_chemical_formula_sum '[Ca4 La12 Rh4]'
_cell_volume [687.7040]
_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  0.3848  0.0862  0.8053  1.0
  La  La1  4  0.0147  0.6187  0.1443  1.0
  La  La2  4  0.1986  0.0711  0.0886  1.0
  La  La3  4  0.3457  0.6197  0.9397  1.0
  Rh  Rh4  4  0.0984  0.6743  0.3913  1.0
]