data_[Sm14Zn4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.0394]
_cell_length_b [10.9927]
_cell_length_c [7.1855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm7(ZnIr)2]
_chemical_formula_sum '[Sm14 Zn4 Ir4]'
_cell_volume [635.0108]
_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  8  0.2500  0.2500  0.2592  1
  Sm  Sm1  4  0.0000  0.5000  0.2532  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  4  0.1655  0.0000  0.5000  1
  Ir  Ir4  4  0.0000  0.2903  0.0000  1
]