data_[Sm2Ho2Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.7957]
_cell_length_b [4.7957]
_cell_length_c [7.3604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [SmHoAu]
_chemical_formula_sum '[Sm2 Ho2 Au2]'
_cell_volume [169.2769]
_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  0.5000  0.8766  1.0
  Ho  Ho1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.0000  0.5000  0.2692  1.0
]