data_[Pm12Be8Ge12]
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 [Cmcm]
_cell_length_a [4.1057]
_cell_length_b [11.1284]
_cell_length_c [14.2295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm3Be2Ge3]
_chemical_formula_sum '[Pm12 Be8 Ge12]'
_cell_volume [650.1431]
_cell_formula_units_Z [4]
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  8  0.0000  0.0694  0.6083  1
  Pm  Pm1  4  0.0000  0.3566  0.7500  1
  Be  Be2  8  0.0000  0.2310  0.1021  1
  Ge  Ge3  8  0.0000  0.3512  0.5437  1
  Ge  Ge4  4  0.0000  0.3479  0.2500  1
]