data_[Sr2Ca16Rh4]
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 [C2/m]
_cell_length_a [17.0824]
_cell_length_b [7.2303]
_cell_length_c [6.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(Ca4Rh)2]
_chemical_formula_sum '[Sr2 Ca16 Rh4]'
_cell_volume [797.5526]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.0000  1
  Ca  Ca1  8  0.1439  0.2482  0.4004  1
  Ca  Ca2  4  0.0810  0.5000  0.8340  1
  Ca  Ca3  4  0.2166  0.0000  0.8948  1
  Rh  Rh4  4  0.2288  0.5000  0.6759  1
]