data_[Pm6Be4B18]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1685]
_cell_length_b [6.8169]
_cell_length_c [14.5796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pm3Be2B9]
_chemical_formula_sum '[Pm6 Be4 B18]'
_cell_volume [314.9115]
_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
[
  Pm  Pm0  4  0.0000  0.0000  0.2369  1
  Pm  Pm1  2  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.0000  0.1561  0.5000  1
  B  B3  8  0.0000  0.2657  0.6226  1
  B  B4  8  0.0000  0.3437  0.1089  1
  B  B5  2  0.0000  0.5000  0.0000  1
]