data_[Sm8Sn20Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4753]
_cell_length_b [26.6952]
_cell_length_c [7.3261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2Sn5Ir3]
_chemical_formula_sum '[Sm8 Sn20 Ir12]'
_cell_volume [875.2367]
_cell_formula_units_Z [4]
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  0.0000  0.1724  0.2714  1
  Sm  Sm1  4  0.0000  0.4767  0.2460  1
  Sn  Sn2  4  0.0000  0.0481  0.4091  1
  Sn  Sn3  4  0.0000  0.1205  0.7415  1
  Sn  Sn4  4  0.0000  0.2906  0.4902  1
  Sn  Sn5  4  0.0000  0.2946  0.0627  1
  Sn  Sn6  4  0.0000  0.4028  0.6188  1
  Ir  Ir7  4  0.0000  0.0502  0.0270  1
  Ir  Ir8  4  0.0000  0.2231  0.7774  1
  Ir  Ir9  4  0.0000  0.3939  0.9912  1
]