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 [P2/c]
_cell_length_a [7.8509]
_cell_length_b [7.4998]
_cell_length_c [14.2429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sr3CaRh]
_chemical_formula_sum '[Sr12 Ca4 Rh4]'
_cell_volume [838.6111]
_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  0.1089  0.2778  0.9589  1.0
  Sr  Sr1  4  0.2510  0.4583  0.7113  1.0
  Sr  Sr2  4  0.3724  0.2367  0.4473  1.0
  Ca  Ca3  4  0.2076  0.0670  0.2101  1.0
  Rh  Rh4  4  0.0513  0.3226  0.3489  1.0
]