data_LaFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.28
_cell_angle_alpha   103.79
_cell_angle_beta   103.79
_cell_angle_gamma   52.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Rh
_chemical_formula_sum   'La1 Fe2 Rh1'
_cell_volume   77.45
_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
  La  La2  1  0.24  0.0  0.54  1.0
  Fe  Fe0  1  0.0  0.0  0.48  1.0
  Fe  Fe1  1  0.49  0.0  0.61  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_LaFe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.39
_cell_length_c   5.28
_cell_angle_alpha   103.79
_cell_angle_beta   90.0
_cell_angle_gamma   116.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Rh
_chemical_formula_sum   'La1 Fe2 Rh1'
_cell_volume   77.45
_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
  La  La0  1  0.0  0.76  0.46  1.0
  Fe  Fe1  1  0.0  0.51  0.39  1.0
  Fe  Fe2  1  0.0  1.0  0.52  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

La Fe Fe Rh
La Fe Fe Rh 0 1 o o o 0 2 o o o 0 3 o o + 0 3 o o o 1 3 o o + 1 3 o o o 2 3 + o + 