data_[Sm2Be4Zn1Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9915]
_cell_length_b [3.9915]
_cell_length_c [9.6492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Sm2Be4ZnIr3]
_chemical_formula_sum '[Sm2 Be4 Zn1 Ir3]'
_cell_volume [153.7296]
_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  2  0.0000  0.5000  0.7551  1.0
  Be  Be1  2  0.0000  0.5000  0.3697  1.0
  Be  Be2  1  0.0000  0.0000  0.0000  1.0
  Be  Be3  1  0.5000  0.5000  0.0000  1.0
  Zn  Zn4  1  0.5000  0.5000  0.5000  1.0
  Ir  Ir5  2  0.0000  0.5000  0.1235  1.0
  Ir  Ir6  1  0.0000  0.0000  0.5000  1.0
]