data_[Ca8Be4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1652]
_cell_length_b [5.6371]
_cell_length_c [6.8693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2BeRh2]
_chemical_formula_sum '[Ca8 Be4 Rh8]'
_cell_volume [385.6936]
_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
[
  Ca  Ca0  8  0.1463  0.3730  0.1414  1.0
  Be  Be1  4  0.0000  0.0767  0.7500  1.0
  Rh  Rh2  8  0.1263  0.1249  0.5112  1.0
]