data_[Sm2Ho2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2472]
_cell_length_b [4.5399]
_cell_length_c [7.3046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmHoIr]
_chemical_formula_sum '[Sm2 Ho2 Ir2]'
_cell_volume [164.9113]
_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  0.2280  0.2500  0.9315  1.0
  Ho  Ho1  2  0.2428  0.2500  0.4578  1.0
  Ir  Ir2  2  0.3185  0.7500  0.7176  1.0
]