data_[Li4Ca16Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.0521]
_cell_length_b [15.1566]
_cell_length_c [5.0493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li2Ca8Rh3]
_chemical_formula_sum '[Li4 Ca16 Rh6]'
_cell_volume [769.2828]
_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
[
  Li  Li0  4  0.0000  0.2419  0.5000  1
  Ca  Ca1  8  0.2487  0.1064  0.5000  1
  Ca  Ca2  4  0.0000  0.1075  0.0000  1
  Ca  Ca3  4  0.0000  0.3904  0.0000  1
  Rh  Rh4  4  0.2497  0.5000  0.0000  1
  Rh  Rh5  2  0.0000  0.0000  0.5000  1
]