data_[Sm6As12Pd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7648]
_cell_length_b [4.1230]
_cell_length_c [10.0522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmAs2Pd3]
_chemical_formula_sum '[Sm6 As12 Pd18]'
_cell_volume [660.8034]
_cell_formula_units_Z [6]
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  0.1544  0.0000  0.7005  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.0393  0.5000  0.7868  1.0
  As  As3  4  0.1361  0.5000  0.4542  1.0
  As  As4  4  0.1991  0.0000  0.1313  1.0
  Pd  Pd5  4  0.0426  0.0000  0.3315  1.0
  Pd  Pd6  4  0.1220  0.5000  0.1988  1.0
  Pd  Pd7  4  0.1800  0.5000  0.9668  1.0
  Pd  Pd8  4  0.2211  0.0000  0.3903  1.0
  Pd  Pd9  2  0.0000  0.5000  0.5000  1.0
]