data_[Li1Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.7017]
_cell_length_b [3.8527]
_cell_length_c [5.2612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [LiRh3]
_chemical_formula_sum '[Li1 Rh3]'
_cell_volume [54.7638]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Rh  Rh1  2  0.5000  0.5000  0.2450  1.0
  Rh  Rh2  1  0.0000  0.0000  0.5000  1.0
]