data_[Sm4Mg6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2623]
_cell_length_b [4.2616]
_cell_length_c [7.5727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Mg3Ir2]
_chemical_formula_sum '[Sm4 Mg6 Ir4]'
_cell_volume [307.8023]
_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  0.1486  0.0000  0.7950  1.0
  Mg  Mg1  4  0.1403  0.5000  0.4385  1.0
  Mg  Mg2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.1513  0.0000  0.1966  1.0
]