data_[Sr12Ca4Rh4]
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 [Cc]
_cell_length_a [8.4276]
_cell_length_b [14.3681]
_cell_length_c [8.0498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sr3CaRh]
_chemical_formula_sum '[Sr12 Ca4 Rh4]'
_cell_volume [831.6899]
_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  4  0.0016  0.0413  0.2194  1
  Sr  Sr1  4  0.2427  0.2961  0.2239  1
  Sr  Sr2  4  0.2648  0.2127  0.7378  1
  Ca  Ca3  4  0.0142  0.4642  0.7164  1
  Rh  Rh4  4  0.1322  0.3814  0.4758  1
]