data_[Ca16Sn2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1026]
_cell_length_b [13.4745]
_cell_length_c [5.5826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8SnRh2]
_chemical_formula_sum '[Ca16 Sn2 Rh4]'
_cell_volume [665.0389]
_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
[
  Ca  Ca0  8  0.1938  0.1371  0.0759  1
  Ca  Ca1  4  0.0000  0.2483  0.5000  1
  Ca  Ca2  4  0.1203  0.5000  0.3002  1
  Sn  Sn3  2  0.0000  0.0000  0.5000  1
  Rh  Rh4  4  0.0000  0.3143  0.0000  1
]