data_[Sc4Sn2Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3086]
_cell_length_b [14.1823]
_cell_length_c [4.0100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc2SnPd7]
_chemical_formula_sum '[Sc4 Sn2 Pd14]'
_cell_volume [415.6494]
_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
[
  Sc  Sc0  4  0.0000  0.3108  0.5000  1
  Sn  Sn1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1871  0.1018  0.5000  1
  Pd  Pd3  4  0.0000  0.1969  0.0000  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
]