data_[Mn18Sn12Pd30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5271]
_cell_length_b [4.5271]
_cell_length_c [55.5497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn3Sn2Pd5]
_chemical_formula_sum '[Mn18 Sn12 Pd30]'
_cell_volume [985.9443]
_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
[
  Mn  Mn0  6  0.0000  0.0000  0.1000  1.0
  Mn  Mn1  6  0.0000  0.0000  0.3007  1.0
  Mn  Mn2  3  -0.0000  -0.0000  0.5000  1.0
  Mn  Mn3  3  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  6  0.0000  0.0000  0.1999  1.0
  Sn  Sn5  6  0.0000  0.0000  0.3999  1.0
  Pd  Pd6  6  0.0000  0.0000  0.0495  1.0
  Pd  Pd7  6  0.0000  0.0000  0.1500  1.0
  Pd  Pd8  6  0.0000  0.0000  0.2500  1.0
  Pd  Pd9  6  0.0000  0.0000  0.3494  1.0
  Pd  Pd10  6  0.0000  0.0000  0.4500  1.0
]