data_[Fe1Rh1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.2430]
_cell_length_b [3.9267]
_cell_length_c [5.3427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [FeRhCl2]
_chemical_formula_sum '[Fe1 Rh1 Cl2]'
_cell_volume [67.8205]
_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  0.5000  0.5000  0.5000  1
  Rh  Rh1  1  0.0000  0.5000  0.0000  1
  Cl  Cl2  2  0.2485  0.0000  0.2527  1
]