data_[Mn2Sn1Pd6]
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 [P-1]
_cell_length_a [4.7084]
_cell_length_b [4.9867]
_cell_length_c [6.4871]
_cell_angle_alpha [72.8103]
_cell_angle_beta [78.5740]
_cell_angle_gamma [83.8873]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2SnPd6]
_chemical_formula_sum '[Mn2 Sn1 Pd6]'
_cell_volume [142.4361]
_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
[
  Mn  Mn0  2  0.3344  0.6643  0.3370  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.1153  0.5489  0.7680  1.0
  Pd  Pd3  2  0.2215  0.1203  0.5567  1.0
  Pd  Pd4  2  0.4453  0.2168  0.1108  1.0
]