data_[Sm2P8Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.9095]
_cell_length_b [10.4856]
_cell_length_c [4.5699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [SmP4Ir5]
_chemical_formula_sum '[Sm2 P8 Ir10]'
_cell_volume [331.0910]
_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  2  0.0000  0.0000  0.0149  1
  P  P1  4  0.0000  0.2814  0.7661  1
  P  P2  4  0.2322  0.5000  0.5104  1
  Ir  Ir3  8  0.1965  0.3163  0.2483  1
  Ir  Ir4  2  0.0000  0.5000  0.9023  1
]