data_[Li6Ca2Rh2]
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 [P2_1/m]
_cell_length_a [5.4439]
_cell_length_b [5.5611]
_cell_length_c [7.2074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3CaRh]
_chemical_formula_sum '[Li6 Ca2 Rh2]'
_cell_volume [201.0116]
_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  0.2836  0.0045  0.8010  1
  Li  Li1  2  0.1442  0.7500  0.1230  1
  Ca  Ca2  2  0.3059  0.2500  0.3872  1
  Rh  Rh3  2  0.1020  0.7500  0.4673  1
]