data_FeRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh3
_chemical_formula_sum   'Fe4 Rh12'
_cell_volume   220.75
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.36  1.0
  Fe  Fe2  1  0.0  0.12  0.18  1.0
  Fe  Fe3  1  0.7  0.56  0.54  1.0
  Rh  Rh4  1  0.65  0.34  0.0  1.0
  Rh  Rh5  1  0.65  0.34  0.36  1.0
  Rh  Rh6  1  0.0  0.54  0.54  1.0
  Rh  Rh7  1  0.63  0.91  0.54  1.0
  Rh  Rh8  1  0.33  0.77  0.18  1.0
  Rh  Rh9  1  0.7  0.0  0.0  1.0
  Rh  Rh10  1  0.7  0.0  0.36  1.0
  Rh  Rh11  1  0.35  0.34  0.0  1.0
  Rh  Rh12  1  0.35  0.34  0.36  1.0
  Rh  Rh13  1  0.37  0.91  0.54  1.0
  Rh  Rh14  1  0.08  0.77  0.18  1.0
  Rh  Rh15  1  0.7  0.15  0.18  1.0

data_FeRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh3
_chemical_formula_sum   'Fe4 Rh12'
_cell_volume   220.75
_cell_formula_units_Z   4
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
  Fe  Fe0  1  -0.0  0.12  0.18  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.36  1.0
  Fe  Fe3  1  0.7  0.56  0.54  1.0
  Rh  Rh4  1  -0.0  0.54  0.54  1.0
  Rh  Rh5  1  0.08  0.77  0.18  1.0
  Rh  Rh6  1  0.33  0.77  0.18  1.0
  Rh  Rh7  1  0.35  0.34  0.0  1.0
  Rh  Rh8  1  0.35  0.34  0.36  1.0
  Rh  Rh9  1  0.37  0.91  0.54  1.0
  Rh  Rh10  1  0.63  0.91  0.54  1.0
  Rh  Rh11  1  0.65  0.34  0.0  1.0
  Rh  Rh12  1  0.65  0.34  0.36  1.0
  Rh  Rh13  1  0.7  0.0  0.0  1.0
  Rh  Rh14  1  0.7  0.0  0.36  1.0
  Rh  Rh15  1  0.7  0.15  0.18  1.0

Fe Fe Fe Fe Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh
Fe Fe Fe Fe Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh 0 9 - o o 0 2 o o o 0 11 o o o 1 2 o o o 1 10 - o o 1 12 o o o 2 15 - o o 3 5 o o o 3 6 + o o 4 11 o o o 4 15 o o o 5 12 o o o 5 15 o o o 5 10 o o o 7 13 o o o 7 10 o + o 8 14 o o o 8 15 o + o 9 15 o o o 10 15 o o o 