data_[Li6Ca8Rh4]
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 [C2/m]
_cell_length_a [15.9038]
_cell_length_b [4.2869]
_cell_length_c [6.8224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(Ca2Rh)2]
_chemical_formula_sum '[Li6 Ca8 Rh4]'
_cell_volume [442.8233]
_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  0.1010  0.0000  0.2295  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Ca  Ca2  4  0.0668  0.5000  0.8327  1
  Ca  Ca3  4  0.2284  0.0000  0.6881  1
  Rh  Rh4  4  0.1079  0.5000  0.4528  1
]