data_LaFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFeRh2
_chemical_formula_sum   'La1 Fe1 Rh2'
_cell_volume   69.92
_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  La1  1  0.19  0.0  0.74  1.0
  Fe  Fe0  1  0.0  0.0  0.03  1.0
  Rh  Rh2  1  0.0  0.0  0.73  1.0
  Rh  Rh3  1  0.19  0.0  0.01  1.0

data_LaFeRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaFeRh2
_chemical_formula_sum   'La1 Fe1 Rh2'
_cell_volume   69.97
_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
  La  La0  1  0.19  0.0  0.74  1.0
  Fe  Fe1  1  0.0  0.0  0.03  1.0
  Rh  Rh2  1  0.0  0.0  0.73  1.0
  Rh  Rh3  1  0.19  0.0  0.01  1.0

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