data_FeRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   158.25
_cell_angle_beta   149.36
_cell_angle_gamma   37.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh4
_chemical_formula_sum   'Fe1 Rh4'
_cell_volume   67.29
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.43  1.0
  Rh  Rh2  1  0.0  0.0  0.76  1.0
  Rh  Rh3  1  0.0  0.0  0.65  1.0
  Rh  Rh4  1  0.0  0.0  0.99  1.0

data_FeRh4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   3.75
_cell_length_c   7.09
_cell_angle_alpha   105.32
_cell_angle_beta   100.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh4
_chemical_formula_sum   'Fe1 Rh4'
_cell_volume   67.29
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.01  0.01  0.01  1.0
  Rh  Rh2  1  0.24  0.24  0.24  1.0
  Rh  Rh3  1  0.35  0.35  0.35  1.0
  Rh  Rh4  1  0.57  0.57  0.57  1.0

Fe Rh Rh Rh Rh
Fe Rh Rh Rh Rh 0 4 o o - 1 3 o o o 2 3 o o o 