data_[Ca16Zn4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7610]
_cell_length_b [5.3518]
_cell_length_c [7.0927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8Zn2Rh]
_chemical_formula_sum '[Ca16 Zn4 Rh2]'
_cell_volume [678.0587]
_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  4  0.0284  0.0000  0.8005  1.0
  Ca  Ca1  4  0.0902  0.5000  0.4177  1.0
  Ca  Ca2  4  0.1543  0.5000  0.9616  1.0
  Ca  Ca3  4  0.2080  0.0000  0.3073  1.0
  Zn  Zn4  4  0.1851  0.0000  0.7206  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]