data_[Pm2Be7Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.5551]
_cell_length_b [9.5551]
_cell_length_c [3.8223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Pm2Be7Pd12]
_chemical_formula_sum '[Pm2 Be7 Pd12]'
_cell_volume [302.2204]
_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
[
  Pm  Pm0  1  0.0000  0.0000  0.5000  1
  Pm  Pm1  1  0.3333  0.6667  0.0000  1
  Be  Be2  3  0.0525  0.6257  0.5000  1
  Be  Be3  3  0.2810  0.0507  0.0000  1
  Be  Be4  1  0.6667  0.3333  0.0000  1
  Pd  Pd5  3  0.0420  0.7793  0.0000  1
  Pd  Pd6  3  0.1088  0.3921  0.5000  1
  Pd  Pd7  3  0.4422  0.2296  0.5000  1
  Pd  Pd8  3  0.5184  0.0578  0.0000  1
]