data_[Sr4Ca12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.8931]
_cell_length_b [8.0975]
_cell_length_c [7.0381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrCa3Rh]
_chemical_formula_sum '[Sr4 Ca12 Rh4]'
_cell_volume [734.7113]
_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
[
  Sr  Sr0  2  0.0896  0.5000  0.9285  1.0
  Sr  Sr1  2  0.3469  0.5000  0.5800  1.0
  Ca  Ca2  4  0.0926  0.2467  0.4201  1.0
  Ca  Ca3  4  0.3427  0.2478  0.0951  1.0
  Ca  Ca4  2  0.0975  0.0000  0.9132  1.0
  Ca  Ca5  2  0.3378  0.0000  0.5723  1.0
  Rh  Rh6  2  0.2116  0.0000  0.2524  1.0
  Rh  Rh7  2  0.4775  0.5000  0.2401  1.0
]