data_[Sm10Ir2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3315]
_cell_length_b [5.9042]
_cell_length_c [8.3441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm5IrSe5]
_chemical_formula_sum '[Sm10 Ir2 Se10]'
_cell_volume [623.6265]
_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  0.1519  0.0000  0.8355  1.0
  Sm  Sm1  4  0.1587  0.0000  0.3266  1.0
  Sm  Sm2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.1716  0.5000  0.8392  1.0
  Se  Se5  4  0.1794  0.5000  0.3317  1.0
  Se  Se6  2  0.0000  0.0000  0.5000  1.0
]