data_[Sm1Y1Rh2C2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Rh  2.2800  1.3500  0.7450
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7046]
_cell_length_b [3.7046]
_cell_length_c [7.3819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SmYRh2(CN)2]
_chemical_formula_sum '[Sm1 Y1 Rh2 C2 N2]'
_cell_volume [101.3082]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.1703  1
  Y  Y1  1  0.5000  0.5000  0.8312  1
  Rh  Rh2  2  0.0000  0.5000  0.5024  1
  C  C3  1  0.0000  0.0000  0.6603  1
  C  C4  1  0.5000  0.5000  0.3367  1
  N  N5  1  0.0000  0.0000  0.8472  1
  N  N6  1  0.5000  0.5000  0.1494  1
]