data_[Sm1In1Ge2Pd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5285]
_cell_length_b [4.5285]
_cell_length_c [8.1751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SmInGe2Pd5]
_chemical_formula_sum '[Sm1 In1 Ge2 Pd5]'
_cell_volume [167.6484]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  In  In1  1  0.0000  0.0000  0.0000  1
  Ge  Ge2  2  0.5000  0.5000  0.1492  1
  Pd  Pd3  4  0.0000  0.5000  0.2656  1
  Pd  Pd4  1  0.5000  0.5000  0.5000  1
]