data_[Li2Ca12Rh2]
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 [7.2198]
_cell_length_b [12.1044]
_cell_length_c [7.0342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCa6Rh]
_chemical_formula_sum '[Li2 Ca12 Rh2]'
_cell_volume [573.2681]
_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  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  8  0.2131  0.3240  0.7409  1.0
  Ca  Ca2  4  0.2400  0.5000  0.2768  1.0
  Rh  Rh3  2  0.0000  0.5000  0.5000  1.0
]