data_[Ca2Fe4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0189]
_cell_length_b [4.6809]
_cell_length_c [9.0677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaFe2Rh]
_chemical_formula_sum '[Ca2 Fe4 Rh2]'
_cell_volume [128.1376]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  2  0.0000  0.5000  0.2504  1
  Fe  Fe1  2  0.0000  0.0000  0.0306  1
  Fe  Fe2  2  0.0000  0.5000  0.7424  1
  Rh  Rh3  2  0.0000  0.0000  0.4767  1
]