data_LiFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   31.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeRh2
_chemical_formula_sum   'Li1 Fe1 Rh2'
_cell_volume   49.65
_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  Li1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.01  0.0  0.68  1.0
  Rh  Rh2  1  0.01  0.0  0.62  1.0
  Rh  Rh3  1  0.0  0.0  0.46  1.0

data_LiFeRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.62
_cell_length_b   4.01
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiFeRh2
_chemical_formula_sum   'Li1 Fe1 Rh2'
_cell_volume   49.65
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  1.0  0.0  1.0  1.0
  Fe  Fe1  1  0.32  0.0  0.32  1.0
  Rh  Rh2  1  0.38  0.0  0.38  1.0
  Rh  Rh3  1  0.54  0.0  0.54  1.0

Li Fe Rh Rh