data_[Pm36Be3Ge21]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.7141]
_cell_length_b [14.7141]
_cell_length_c [9.0446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12BeGe7]
_chemical_formula_sum '[Pm36 Be3 Ge21]'
_cell_volume [1695.8584]
_cell_formula_units_Z [3]
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  18  0.0295  0.4436  0.3141  1
  Pm  Pm1  18  0.0458  0.1758  0.2736  1
  Be  Be2  3  0.0000  0.0000  0.0000  1
  Ge  Ge3  18  0.0474  0.1838  0.9249  1
  Ge  Ge4  3  0.0000  0.0000  0.5000  1
]