data_[Sm4Ir2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9775]
_cell_length_b [4.0254]
_cell_length_c [11.2250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2IrCl2]
_chemical_formula_sum '[Sm4 Ir2 Cl4]'
_cell_volume [307.0079]
_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
[
  Sm  Sm0  4  0.2224  0.5000  0.6518  1
  Ir  Ir1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  4  0.0523  0.5000  0.1888  1
]