data_[Sm12Ho4Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3861]
_cell_length_b [3.7653]
_cell_length_c [13.9596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm3HoPd]
_chemical_formula_sum '[Sm12 Ho4 Pd4]'
_cell_volume [587.5548]
_cell_formula_units_Z [4]
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  0.1038  0.0000  0.3770  1
  Sm  Sm1  2  0.2573  0.5000  0.2440  1
  Sm  Sm2  2  0.2851  0.5000  0.6138  1
  Sm  Sm3  2  0.4284  0.0000  0.4833  1
  Sm  Sm4  2  0.4584  0.0000  0.8473  1
  Sm  Sm5  2  0.4905  0.5000  0.0807  1
  Ho  Ho6  2  0.1088  0.0000  0.7198  1
  Ho  Ho7  2  0.2237  0.0000  0.0052  1
  Pd  Pd8  2  0.2644  0.5000  0.8676  1
  Pd  Pd9  2  0.4405  0.0000  0.2197  1
]